CAS Registry Number: 64187-47-9

Name:

1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​oxo-​, 1-​(phenylmethyl) ester, (2S)​-
1,​2-​Pyrrolidinedicarboxy​lic acid, 4-​oxo-​, 1-​(phenylmethyl) ester, (S)​-; 1-​(Benzyloxycarbonyl)​-​4-​keto-​(S)​-​proline; N-​Carbobenzoxy-​4-​oxo-​L-​proline 

Chemical Formula: C13H13NO5
Exact Mass: 263.08
Molecular Weight: 263.25
m/z: 263.08 (100.0%), 264.08 (14.6%), 265.08 (1.1%)
Elemental Analysis: C, 59.31; H, 4.98; N, 5.32; O, 30.39

InChI: InChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
InChIKey: RPLLCMZOIFOBIF-NSHDSACASA-N
Canonical SMILES : C1C(N(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)O
Isomeric SMILES: C1[C@H](N(CC1=O)C(=O)OCC2=CC=CC=C2)C(=O)O

Specification

98%

1. (1) Edmunds, Andrew John Francis; DD 283626 A5 1990 CAPLUS