Catalog Number:
AG000BU9
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-(2-cyanophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
CAS Number:
1161787-84-3
Molecular Formula:
C17H19N2O4-
Molecular Weight:
315.3438
MDL Number:
MFCD06659294
IUPAC Name:
(3R,4S)-4-(2-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-7-5-4-6-11(12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/t13-,14+/m1/s1
InChI Key:
BHWWHVJMCKAYGA-KGLIPLIRSA-N
SMILES:
N#Cc1ccccc1[C@H]1CN(C[C@@H]1C(=O)[O-])C(=O)OC(C)(C)C