Tuesday, August 15, 2006

UC0193

C18H20N2O5
Smiles :CC(O2)=CC=C2CN1C(C3=CC(OC)=C(OC)C=C3)C(NCC1=O)=O
Exact Mass: 344.14
Mol. Wt.: 344.36

Friday, August 04, 2006

UC0192

Name: 5-aminopentane-1,2,3,4-tetrol
SMILES: OC(CN)C(O)C(O)CO
Molecular Formula: C5H13NO4
Molecular Weight: 151.161 g/mol
Used as R2 amine in UC0191

UC0191

Malaria37-#96 Diketopiperazine
SMILES: OC(CN2C(CCCN)C(=O)NC(CC1CCCCC1)C2=O)C(O)C(O)CO
Aldehyde is the same as UC0035
Amine is UC0192
Amino Acid is the same as
UC0047

Thursday, August 03, 2006

UC0190

Malaria37-#95 Diketopiperazine
SMILES: Oc1ccc(cc1O)CC3C(=O)NC(CCSCC)C(=O)N3Cc2nc(C)ccc2
Aldehyde is the same as
UC0008
Amine is the same as UC0064
Amino Acid is the same as UC0083

UC0189

Malaria37-#94 Diketopiperazine
Name: 6-(3,4-dihydroxybenzyl)-3-isobutyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILE: Oc1ccc(cc1O)CC3N(Cc2nccs2)C(=O)C(CC(C)C)NC3=O

Aldehyde is the same as UC0008
Amine is the same as UC0166
Aminoacid is the same as UC0031

UC0188

Malaria37-#93 Diketopiperazine
Name: 3-(3-aminopropyl)-6-(3,4-dihydroxybenzyl)-1-(2-oxopropyl)piperazine-2,5-dione
SMILES: O=C(C)CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CCCN)C2=O
Aldehyde is the same as UC0008
Amine is the same as UC0028
Aminoacid is the same as UC0090

UC0187

Malaria37-#92 Diketopiperazine
Name: 3-butyl-6-(3,4-dihydroxybenzyl)-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILES: Oc1ccc(cc1O)CC3N(Cc2nccs2)C(=O)C(CCCC)NC3=O
Aldehyde is the same as UC0008
Amine is the same as UC0166
Amino Acid is the same as UC0109

UC0186

Name: 2-[(tert-butoxycarbonyl)amino]-3-(methylthio)propanoic acid
SMILES: CC(C)(C)OC(=O)NC(CSC)C(O)=O
Molecular Formula: C9H17NO4S

Molecular Weight: 235.301 g/mol
Used as R1 aminoacid in UC0185

UC0185

Malaria37-#91 Diketopiperazine
SMILES: Cc3cc(CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CSC)C2=O)oc3C
Aldehyde is the same as
UC0008
Amine is the same as UC0082
Amino Acid is the same as UC0186

UC0184

Malaria37-#90 Diketopiperazine
SMILES: Oc1ccc(cc1O)CC3N(Cc2ccc(C)o2)C(=O)C(CCCCCC)NC3=O

Aldehyde is the same as UC0008
Amine is the same as UC0009
Amino Acid is the same as UC0099

UC0183

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

Molecular Formula: C8H15NO4
Molecular Weight: 189.209 g/mol
Used as R1 aminoacid in UC0182

UC0182

Malaria37-#89 Diketopiperazine
Name: (3R,6S)-6-(3,4-dihydroxybenzyl)-3-methyl-1-[(6-methylpyridin-2-yl)methyl]piperazine-2,5-dione
SMILES: Oc1ccc(cc1O)CC3C(=O)NC(C)C(=O)N3Cc2nc(C)ccc2

Aldehyde is the same as UC0008
Amine is the same as UC0064
Amino Acid is UC0183

UC0181

Malaria37-#88 Diketopiperazine
Name: [2-(3,4-dihydroxybenzyl)-5-isobutyl-3,6-dioxopiperazin-1-yl]acetic acid
SMILES: O=C(O)CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CC(C)C)C2=O
Aldehyde is the same as UC0008
Amine is the same as UC0048
Aminoacid is the same as UC0031

UC0180

Malaria37-#87 Diketopiperazine
SMILES: Cc3cc(CN2C(Cc1ccc(O)c(O)c1)C(=O)NC(CCCC)C2=O)oc3C
Aldehyde is the same as UC0008
Amine is the same as UC0082
Aminoacid is the same as UC0109

UC0179

Name: 2-[(tert-butoxycarbonyl)amino]-4-(methylsulfinyl)butanoic acid
SMILES: O=S(C)CCC(NC(=O)OC(C)(C)C)C(O)=O
Molecular Formula: C10H19NO5S
Molecular Weight: 265.327 g/mol
Used as R1 aminoacid in UC0178