Monday, November 28, 2005

UC0003

Reagent B in synthesis of UC0001
SMILES: C(NC(OC(C)(C)C)=O)(C(=O)O)C(c1cc(c(cc1)O)O)O

UC0002

used in synthesis of UC0001
NAME: 2-[(tert-butoxycarbonyl)amino]-4-(methylthio)butanoic acid
SMILES: CSCCC(NC(=O)OC(C)(C)C)C(O)=O
CAS: 2488-15-5
Aldrich: 408425-5G $23.60

HNMR (Varian Inova 300MHz)
C13NMR (Varian Inova 300MHz)
H NMR [CD3OD 300MHz Varian Inova]

UC0001


Source: malaria37-003
NAME: 6-[(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-[2-(methylthio)ethyl]- 1-(2-oxopropyl)piperazine-2,5-dione
SMILES: C1(N(C(C(NC1=O)CCSC)=O)CC(=O)C)C(c2cc(c(cc2)O)O)O
Aldrich: none found
Chmoogle: none found