Analyte Name

(alphaS)-alpha-Amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]benzenepropanamide Hydrochloride

CAS Number

205393-21-1

Molecular Formula

C24 H37 B N2 O3 . Cl H

Molecular Weight

448.8341

Accurate Mass

448.2664

SMILES

Cl.CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2

InChI

InChI=1S/C24H37BN2O3.ClH/c1-15(2)11-21(27-22(28)18(26)12-16-9-7-6-8-10-16)25-29-20-14-17-13-19(23(17,3)4)24(20,5)30-25;/h6-10,15,17-21H,11-14,26H2,1-5H3,(H,27,28);1H/t17-,18-,19-,20+,21-,24-;/m0./s1

IUPAC

(2S)-2-amino-N-[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]-3-phenylpropanamide;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Bortezomib