Catalog Number:
AG002A28
Chemical Name:
Benzenepropanamide, α-amino-N-[(1R)-1-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-3-methylbutyl]-, hydrochloride (1:1), (αS)-
CAS Number:
205393-21-1
Molecular Formula:
C24H38BClN2O3
Molecular Weight:
448.8341
MDL Number:
MFCD18252917
IUPAC Name:
(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
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
InChI Key:
BYRWVECJDRGBAH-UMPWXGAWSA-N
SMILES:
CC(C[C@@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)NC(=O)[C@H](Cc1ccccc1)N)C.Cl
