Analyte Name

N(amino)-Des(N-(Methoxycarbonyl)-3-methyl-L-valinamido)-[(4S)-4-(1,1-Dimethylethyl)-2,5-dioxo-1-imidazolidinyl] Atazanavir

CAS Number

1292296-13-9

Molecular Formula

C37 H48 N6 O6

Molecular Weight

672.814

Accurate Mass

672.364

SMILES

COC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)N2C(=O)N[C@@H](C2=O)C(C)(C)C)Cc3ccc(cc3)c4ccccn4)C(C)(C)C

InChI

InChI=1S/C37H48N6O6/c1-36(2,3)30(40-35(48)49-7)32(45)41-42(22-25-16-18-26(19-17-25)27-15-11-12-20-38-27)23-29(44)28(21-24-13-9-8-10-14-24)43-33(46)31(37(4,5)6)39-34(43)47/h8-20,28-31,44H,21-23H2,1-7H3,(H,39,47)(H,40,48)(H,41,45)/t28-,29-,30+,31-/m0/s1

IUPAC

methyl N-[(2S)-1-[2-[(2S,3S)-3-[(4R)-4-tert-butyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat