CAS Registry Number: 174148-03-9

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​[[(9H-​fluoren-​9-​ylmethoxy)​carbonyl]​amino]​-​, 1-​(1,​1-​dimethylethyl) ester, (2S,​4S)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​[[(9H-​fluoren-​9-​ylmethoxy)​carbonyl]​amino]​-​, 1-​(1,​1-​dimethylethyl) ester, (2S-​cis)​-; (2S,​4S)​-​4-​[[[(9H-​Fluoren-​9-​yl)​methoxy]​carbonyl]​amino]​-​1-​(tert-​butoxycarbonyl)​pyrrolidine-​2-​carboxylic acid 

Deleted CAS Registry Numbers: 642091-​19-​8

Chemical Formula: C25H28N2O6
Exact Mass: 452.19
Molecular Weight: 452.50
m/z: 452.19 (100.0%), 453.20 (27.6%), 454.20 (5.1%)
Elemental Analysis: C, 66.36; H, 6.24; N, 6.19; O, 21.21

InChI: InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-15(12-21(27)22(28)29)26-23(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21-/m0/s1
InChIKey: UPXRTVAIJMUAQR-BTYIYWSLSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC(CC1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Isomeric SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Specification

98%

1. (1) Zanardi, Franca; Journal of Medicinal Chemistry 2008, V51(6), P1771-1782 CAPLUS