1-[6-azanyl-4-fluoranyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-4-fluoranyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]-4-fluoro-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-4-fluoro-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-4-fluoro-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]-4-fluoro-hexanoyl]proline Formula: C21H30FN3O5 MolecularWeight: 423.478403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O5/c22-15(10-11-23)13-17(19(26)25-12-4-7-18(25)21(29)30)24-16(20(27)28)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-18,24H,4,7-13,23H2,(H,27,28)(H,29,30)