(3S,6S,7S,9S,12S)-7-Hydroxy-N1,N14-dimethyl-3,12-bis(1-methylethyl)-N1,N14-bis[[2-(1-methylethyl)-4-thiazolyl]methyl]-4,11-dioxo-6,9-bis(phenylmethyl)-2,5,10,13-tetraazatetradecanediamide

Analyte Name

(2S)-N-((2S,4S,5S)-4-hydroxy-5-(((2S)-3-methyl-2-((methyl-((2-propan-2-yl-1,3-thiazol-4-yl)methyl)carbamoyl)amino)butanoyl)amino)-1,6-diphenylhexan-2-yl)-3-methyl-2-((methyl-((2-propan-2-yl-1,3-thiazol-4-yl)methyl)carbamoyl)amino)butanamide

CAS Number

869368-48-9

Molecular Formula

C46 H66 N8 O5 S2

Molecular Weight

875.197

Accurate Mass

874.46

SMILES

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N(C)Cc3csc(n3)C(C)C)C(C)C)Cc4ccccc4

InChI

InChI=1S/C46H66N8O5S2/c1-28(2)39(51-45(58)53(9)24-35-26-60-43(48-35)30(5)6)41(56)47-34(21-32-17-13-11-14-18-32)23-38(55)37(22-33-19-15-12-16-20-33)50-42(57)40(29(3)4)52-46(59)54(10)25-36-27-61-44(49-36)31(7)8/h11-20,26-31,34,37-40,55H,21-25H2,1-10H3,(H,47

IUPAC

(2S)-N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat