Analyte Name

2-((4S,7S,10S,13S,15R)-10-Benzyl-15-hydroxy-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14,18-hexaoxo-4-phenethyl-17-oxa-3,6,9,12-tetraazanonadecan-19-yl)-2-hydroxysuccinic Acid

Molecular Formula

C46 H65 N5 O14

Molecular Weight

912.033

Accurate Mass

911.453

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)[C@](C)(O)COC(=O)CC(O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C46H65N5O14/c1-29(2)22-34(40(56)45(5,62)28-65-39(55)26-46(63,44(60)61)25-38(53)54)48-43(59)36(24-32-14-10-7-11-15-32)50-42(58)35(23-30(3)4)49-41(57)33(17-16-31-12-8-6-9-13-31)47-37(52)27-51-18-20-64-21-19-51/h6-15,29-30,33-36,62-63H,16-28H2,1-5H3,(H,47,52)(H,48,59)(H,49,57)(H,50,58)(H,53,54)(H,60,61)/t33-,34-,35-,36-,45+,46?/m0/s1

IUPAC

2-hydroxy-2-[2-[(2R,4S)-2-hydroxy-2,6-dimethyl-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-oxoheptoxy]-2-oxoethyl]butanedioic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Carfilzomib