BORTEZOMIB-PINANEDIOL

CAS No.
205393-22-2
CCD No.
CCD01388962
Formula
C29 H39 B N4 O4
MolWeight
518.462

Basic Information

Product Name: BORTEZOMIB-PINANEDIOL
CAS: 205393-22-2
English Synonyms: N-[(1S)-2-[[(1R)-1-[(3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL]-3-METHYLBUTYL]AMINO]-2-OXO-1-(PHENYLMETHYL)ETHYL]-2-PYRAZINECARBOXAMIDE ; BORTEZOMIB PINANEDIOL ESTER ; N-[(1S)-1-BENZYL-2-([(1R)-3-METHYL-1-[(1S,2S,6R,8S)-2,9,9-TRIMETHYL-3,5-DIOXA-4-BORATRICYCLO[6.1.1.0(2,6)]DEC-4-YL]BUTYL]AMINO)-2-OXOETHYL]-2-PYRAZINECARBOXAMIDE ; BORTEZOMIB-PINANEDIOL
MDL Number.: MFCD11973734
H bond acceptor: 8
H bond donor: 2
Smile: B1(O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@@]2(O1)C)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)c5cnccn5
InChi: InChI=1S/C29H39BN4O4/c1-18(2)13-25(30-37-24-16-20-15-23(28(20,3)4)29(24,5)38-30)34-26(35)21(14-19-9-7-6-8-10-19)33-27(36)22-17-31-11-12-32-22/h6-12,17-18,20-21,23-25H,13-16H2,1-5H3,(H,33,36)(H,34,35)/t20-,21-,23-,24+,25-,29-/m0/s1
InChiKey: InChIKey=HZCSTPSWJFWZHP-GQABWHEGSA-N

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