Methy (3S,8S,9S)-3-(1,1-Dimethylethyl)-8-hydroxy-13,13-dimethyl-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-12-oxa-2,5,6,10-tetraazatetradecanoic Acid Ester

Analyte Name

Methy (3S,8S,9S)-3-(1,1-Dimethylethyl)-8-hydroxy-13,13-dimethyl-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-12-oxa-2,5,6,10-tetraazatetradecanoic Acid Ester

CAS Number

857904-03-1

Molecular Formula

C35 H47 N5 O6

Molecular Weight

633.778

Accurate Mass

633.353

SMILES

COC(=O)N[C@H](C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccc(cc2)c3ccccn3)C(C)(C)C

InChI

InChI=1S/C35H47N5O6/c1-34(2,3)30(38-32(43)45-7)31(42)39-40(22-25-16-18-26(19-17-25)27-15-11-12-20-36-27)23-29(41)28(21-24-13-9-8-10-14-24)37-33(44)46-35(4,5)6/h8-20,28-30,41H,21-23H2,1-7H3,(H,37,44)(H,38,43)(H,39,42)/t28-,29-,30+/m0/s1

IUPAC

tert-butyl N-[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat