1-[5-azanyl-3-fluoranyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-azanyl-3-fluoranyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-amino-2-[(1-carboxy-3-phenyl-propyl)amino]-3-fluoro-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-amino-3-fluoro-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-amino-3-fluoro-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-amino-2-[(1-carboxy-3-phenyl-propyl)amino]-3-fluoro-pentanoyl]proline Formula: C20H28FN3O5 MolecularWeight: 409.451823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C(CCN)F)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(C(CCN)F)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H28FN3O5/c21-14(10-11-22)17(18(25)24-12-4-7-16(24)20(28)29)23-15(19(26)27)9-8-13-5-2-1-3-6-13/h1-3,5-6,14-17,23H,4,7-12,22H2,(H,26,27)(H,28,29)