4-azanyl-5-(3-fluorophenyl)carbonyl-2-(phenoxymethyl)-2-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylic acid

Systemtic Name: 4-azanyl-5-(3-fluorophenyl)carbonyl-2-(phenoxymethyl)-2-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylic acid Openeye Name: 4-amino-5-(3-fluorobenzoyl)-2-(phenoxymethyl)-2-(thiazol-2-ylamino)pyrrolidine-1-carboxylic acid CAS Name: 4-amino-5-[(3-fluorophenyl)-oxomethyl]-2-(phenoxymethyl)-2-(2-thiazolylamino)-1-pyrrolidinecarboxylic acid IUPAC Name: 4-amino-5-(3-fluorobenzoyl)-2-(phenoxymethyl)-2-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylic acid Traditional Name: 4-amino-5-(3-fluorobenzoyl)-2-(phenoxymethyl)-2-(thiazol-2-ylamino)pyrrolidine-1-carboxylic acid Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1(COC2=CC=CC=C2)NC3=NC=CS3)C(=O)O)C(=O)C4=CC(=CC=C4)F)N

Isomeric SMILES

C1C(C(N(C1(COC2=CC=CC=C2)NC3=NC=CS3)C(=O)O)C(=O)C4=CC(=CC=C4)F)N

InChI

InChI=1S/C22H21FN4O4S/c23-15-6-4-5-14(11-15)19(28)18-17(24)12-22(27(18)21(29)30,26-20-25-9-10-32-20)13-31-16-7-2-1-3-8-16/h1-11,17-18H,12-13,24H2,(H,25,26)(H,29,30)