Friday, June 30, 2006

UC0114

Name: 3-amino-2-[(tert-butoxycarbonyl)amino]propanoic acid
SMILES: C(C(CN)NC(OC(C)(C)C)=O)(=O)O
Molecular Formula: C8H16N2O4
Molecular Weight: 204.224 g/mol
Available in unprotected form only (CAS: 515-94-6)
Used as R1 amino acid in
UC0113

UC0113

Malaria37-#42 Diketopiperazine
Name: 3-(aminomethyl)-6-(3,4-dihydroxybenzyl)-1-(2-oxopropyl)piperazine-2,5-dione
SMILES: c1(c(ccc(c1)CC2C(NC(C(N2CC(C)=O)=O)CN)=O)O)O

Aldehyde is the same as UC0008
Amine is the same as UC0028
Amino Acid is UC0114

UC0112

Malaria37-#41 Diketopiperazine
SMILES: NCCCC1N(C(C(NC1=O)Cc2ccc(cc2)I)=O)Cc3ccc(c(c3)OC)O
Aldehyde is the same as UC0035
Amine is the same as UC0043
Amino Acid is the same as UC0029

UC0111


Malaria37-#40 Diketopiperazine
Name: 3-[1-(3,4-dihydroxybenzyl)-5-ethyl-3,6-dioxopiperazin-2-yl]propanoic acid
SMILES: N1(C(C(NC(C1=O)CC)=O)CCC(O)=O)Cc2ccc(c(c2)O)O
Aldehyde is same as UC0044
Amine is the same as UC0014
Amino Acid is the same as
UC0034

UC0110

Malaria37-#39 Diketopiperazine
SMILES: C2(N(C(C(C(c1ccccc1)C)NC2=O)=O)Cc3ccc(c(OC)c3)O)CCCCNC
Aldehyde is the same as UC0030
Amine is the same as UC0043
Amino Acid is the same as UC0087

UC0109

Name: 2-[(tert-butoxycarbonyl)amino]hexanoic acid
SMILES: C(CCCC)(C(=O)O)NC(OC(C)(C)C)=O

CAS: 6404-28-0
Molecular Formula: C11H21NO4
Molecular Weight: 231.29
Sigma-Aldrich
Used as R1 amino acid in UC0108

UC0108

Malaria37-#38 Diketopiperazine
SMILES: c1(c(ccc(c1)CC2C(NC(C(N2Cc3oc(cc3)Br)=O)CCCC)=O)O)O
Aldehyde is the same as UC0008
Amine is the same as UC0094
Amino Acid is the same as UC0109

UC0107


Malaria37-#37 Diketopiperazine
SMILES: NCCCC1N(C(C(NC1=O)Cc2ccccc2)=O)Cc3ccc(c(c3)O)O
Aldehyde is the same as UC0035
Amine is the same as UC0014
Amino Acid is the same as UC0005

UC0106

Name: 3-(benzylthio)-2-[(tert-butoxycarbonyl)amino]propanoic acid
SMILES: C(C(NC(OC(C)(C)C)=O)CSCc1ccccc1)(=O)O
CAS: 5068-28-0
Molecular Formula: C15H21NO4S
Molecular Weight: 311.398 g/mol
Sigma-Aldrich
Used as R1 amino acid in UC0105

UC0105

Malaria37-#36 Diketopiperazine
SMILES: N1(C(C(NC(C1=O)CSCc2ccccc2)=O)CCCN)Cc3cc(c(cc3)O)O

Aldehyde is the same as UC0035
Amine is the same as UC0014
Amino Acid is UC0106

Thursday, June 29, 2006

UC0104

Name: 2-[(tert-butoxycarbonyl)amino]-3-chloropropanoic acid
SMILES: C(C(NC(OC(C)(C)C)=O)CCl)(O)=O
Molecular Formula: C8H14ClNO4
Molecular Weight: 223.654 g/mol
Used as R1 amino acid in UC0102

UC0103

Name: tert-butyl (4-oxobutanoyl)carbamate
SMILES: CC(C)(C)OC(=O)NC(=O)CCC=O
Molecular Formula: C9H15NO4
Molecular Weight: 201.2197 g/mol
Used as R3 aldehyde in
UC0102

UC0102

Malaria37-#35 Diketopiperazine
Name: 3-[5-(chloromethyl)-1-(3,4-dihydroxybenzyl)-3,6-dioxopiperazin-2-yl]propanamide
SMILES: C1(C(NC(C(N1Cc2ccc(c(c2)O)O)=O)CCl)=O)CCC(=O)N
Aldehyde is UC0103
Amine is the same as UC0014
Amino Acid is UC0104

UC0101

Name: 4-amino-2,3-dibromobutanoic acid
SMILES: C(N)C(C(C(O)=O)Br)Br
Molecular Formula: C4H7Br2NO2
Molecular Weight: 260.912 g/mol
Used as R2 amine in UC0100

UC0100

Malaria37-#34 Diketopiperazine
SMILES: c1(c(ccc(c1)CC2N(C(C(NC2=O)CC3CCCCC3)=O)CC(C(C(O)=O)Br)Br)O)O
Aldehyde is the same as UC0008
Amine is UC0101
Amino Acid is the same as UC0047

UC0099

Name: 2-[(tert-butoxycarbonyl)amino]octanoic acid
SMILES: C(CCCCCC)(C(=O)O)NC(OC(C)(C)C)=O
Molecular Formula: C13H25NO4
Molecular Weight: 259.342 g/mol
Sigma-Aldrich: unprotected form only (CAS: 2187-07-7)
Used as R1 amino acid in UC0098

UC0098

Malaria37-#33 Diketopiperazine
SMILES: c1(c(ccc(c1)CC2N(C(C(NC2=O)CCCCCC)=O)Cc3ccc(o3)CC)O)O

Aldehyde is the same as UC0008
Amine is the same as UC0058
Amino Acid is UC0099

UC0097

Name: 2-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid
SMILES: OC(=O)C(NC(OC(C)(C)C)=O)Cc1ccc(cc1)Cl
CAS: 57292-44-1
Molecular Formula: C14H18ClNO4
Molecular Weight: 299.75 g/mol
Sigma-Aldrich
Used as R1 amino acid in UC0096

UC0096

Malaria37-#32 Diketopiperazine
Name: 3-(4-chlorobenzyl)-6-(3,4-dihydroxybenzyl)-1-(2-oxopropyl)piperazine-2,5-dione
SMILES: c1(c(ccc(c1)CC2C(NC(C(N2CC(C)=O)=O)Cc3ccc(cc3)Cl)=O)O)O
Aldehyde is the same as
UC0008
Amine is the same as
UC0028
Amino Acid is
UC0097

UC0095

Malaria37-#31 Diketopiperazine
SMILES: C1(C(NC(C(N1CCC(C(CO)O)O)=O)CC2CCCCC2)=O)CCCN
Aldehyde is the same as UC0035
Amine is the same as UC0018
Amino Acid is the same as UC0047

UC0094

Name: (5-bromo-2-furyl)methylamine
SMILES: C(N)c1oc(cc1)Br
Molecular Formula: C5H6BrNO
Molecular Weight: 176.011 g/mol
Used as R2 amine in UC0093

UC0093

Malaria37-#30 Diketopiperazine
Name: 1-[(5-bromo-2-furyl)methyl]-6-(3,4-dihydroxybenzyl)-3-ethylpiperazine-2,5-dione
SMILES: c1(c(ccc(c1)CC2C(NC(C(N2Cc3ccc(o3)Br)=O)CC)=O)O)O

Aldehyde is the same as UC0008
Amine is UC0094
Amino Acid is the same as UC0034

UC0092

Name: 1-(2-furyl)methanamine
SMILES: C(N)c1ccco1
CAS: 617-89-0
Molecular Formula: C5H7NO
Molecular Weight: 97.115 g/mol
Sigma-Aldrich
Used as R2 amine in UC0091

UC0091

Malaria37-#29 Diketopiperazine
Name: 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2-furylmethyl)piperazine-2,5-dione
SMILES: c1(c(ccc(c1)CC2C(NC(C(N2Cc3ccco3)=O)CC)=O)O)O
Aldehyde is the same as UC0008
Amine is UC0092
Amino Acid is the same as UC0034

UC0090

SMILES: C(C(NC(OC(C)(C)C)=O)CCCNC(OC(C)(C)C)=O)(O)=O
Molecular Formula: C15H28N2O6
Molecular Weight: 332.393
Sigma-Aldrich: unproteced form only (CAS: 128551-39-3)
Used as R1 aminoacid in UC0088

UC0089

Name: Hydroxyacetaldehyde
SMILES: OCC=O
CAS: 141-46-8
Molecular Formula: C2H4O2
Molecular Weight: 60.052 g/mol
City Chemical
Used as R3 aldehyde in UC0088

UC0088

Malaria37-#28 Diketopiperazine
Name: 3-(3-aminopropyl)-1-(3,4-dihydroxybenzyl)-6-(hydroxymethyl)piperazine-2,5-dione
SMILES: N1(C(C(NC(C1=O)CCCN)=O)CO)Cc2ccc(c(c2)O)O

Aldehyde is UC0089
Amine is the same as UC0014
Amino Acid is UC0090

Wednesday, June 28, 2006

UC0087

Name: 2-[(tert-butoxycarbonyl)amino]-3-phenylbutanoic acid
SMILES: C(C(NC(OC(C)(C)C)=O)C(c1ccccc1)C)(O)=O

CAS: 90731-57-0
Molecular Formula: C15H21NO4
Molecular Weight: 279.34 g/mol

Sigma-Aldrich and Acros Organics
Used as R1 amino acid in
UC0086

UC0086

Malaria37-#27 Diketopiperazine
SMILES: C(CCCC1N(C(C(NC1=O)C(C)c2ccccc2)=O)Cc3ccc(c(c3)O)O)N
Aldehyde is the same as UC0037
Amine is the same as UC0014
Amino Acid is UC0087

UC0085

Malaria37-#26 Diketopiperazine
SMILES: N1(C(C(NC(C1=O)CC2CCCCC2)=O)CCCN)CC(C(CO)O)O

Aldehyde is the same as UC0035
Amine is the same as UC0079
Amino Acid is the same as UC0047

Tuesday, June 27, 2006

UC0084

Malaria37-#25 Diketopiperazine
Name: 6-[(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-isobutyl-1-(2-oxopropyl)piperazine-2,5-dione
SMILES: C(c1cc(c(cc1)O)O)(C2N(C(C(NC2=O)CC(C)C)=O)CC(C)=O)O
Aldehyde is the same as
UC0020
Amine is the same as
UC0028
Amino Acid is the same as UC0031

UC0083

Name: 2-[(tert-butoxycarbonyl)amino]-4-(ethylthio)butanoic acid
SMILES: N(C(CCSCC)C(=O)O)C(OC(C)(C)C)=O
Molecular Formula: C11H21NO4S
Molecular Weight: 263.355 g/mol
Used as R1 amino acid in UC0081

UC0082

Name: (4,5-dimethyl-2-furyl) methylamine
SMILES: o1c(cc(c1C)C)CN
Molecular Formula: C7H11NO
Molecular Weight: 125.168 g/mol
Used as R2 amine in UC0081

UC0081

Malaria37-#23 Diketopiperazine
SMILES: N1(C(C(NC(C1=O)CCSCC)=O)Cc2cc(c(cc2)O)O)Cc3cc(c(o3)C)C
Aldehyde is the same as
UC0008
Amine is UC0082

Amino Acid is UC0083

Monday, June 26, 2006

UC0080

Malaria37-#100 Diketopiperazine
Name: 4-[(2S)-2-(3,4-dihydroxybenzyl)-3,6-dioxopiperazin-1-yl]butanoic acid
SMILES: Oc1ccc(cc1O)CC2C(=O)NCC(=O)N2CCCC(O)=O
Aldehyde is the same as UC0008
Amine is the same as UC0041
Amino Acid is the same as UC0045

UC0079

Name: 4-aminobutane-1,2,3-triol
SMILES: NCC(O)C(O)CO
CAS: 90847-51-1
Used as R2 amine in UC0077

UC0078

Name: tert-butyl (2-hydroxy-5-oxopentyl)carbamate
SMILES: CC(C)(C)OC(=O)NCC(O)CCC=O

Used as R3 aldehyde in UC0077

UC0077

Malaria37-#99 Diketopiperazine
SMILES: OC(CN2C(CCC(O)CN)C(=O)NC(CC1CCCCC1)C2=O)C(O)CO
Aldehyde is
UC0078
Amine is UC0079
Amino Acid is the same as UC0047

UC0076

Malaria37-#98 Diketopiperazine
SMILES: Oc1ccc(cc1O)CC3N(Cc2ccc(CC)o2)C(=O)C(CCSC)NC3=O
Aldehyde is the same as
UC0008
Amine is UC0058
Amino Acid is the same as UC0002

UC0075

Name: 2-[(tert-butoxycarbonyl)amino]-3,3-dimethylbutanoic acid
SMILES: CC(C)(C)OC(=O)NC(C(O)=O)C(C)(C)C
CAS: 102185-35-3
Molecular Formula: C11H21NO4
Molecular Weight: 231.30 g/mol
Sigma-Aldrich
Used as R1 amino acid in UC0074

UC0074

Malaria37-#97 Diketopiperazine
Name: 3-[5-tert-butyl-1-(3,4,-dihydroxybenzyl)-3,6-dioxopiperazin-2-yl]propanoic acid

SMILES: OC(=O)CCC2C(=O)NC(C(=O)N2Cc1cc(O)c(O)cc1)C(C)(C)C
Aldehyde is the same as UC0044
Amine is the same as
UC0014
Amino Acid is UC0075