Molecule ID: 66000

IUPAC Name: 2-[(3S,5S)-5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid

Description: The molecule is a pyrrolidinone that is pyrrolidin-2-one which is substituted at positions 3 and 5 by carboxymethyl and hydroxymethyl groups, respectively, and in which the hydrogen of the resulting alcoholic hydroxy group is replaced by a 4'-carbamimidoylbiphenyl-4-yl group (the S,S-diastereoisomer). A figrinogen receptor antagonist. It has a role as a platelet glycoprotein-IIb/IIIa receptor antagonist. It is a monocarboxylic acid, a carboxamidine and a member of pyrrolidin-2-ones.

SMILES: N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(O)=N3)cc2)cc1

SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C@@H1][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 1.5