1-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-phenylmethoxycarbonyl-amino]propanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-phenylmethoxycarbonyl-amino]propanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-benzamido-2-oxo-4-phenyl-butyl)-benzyloxycarbonyl-amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-benzamido-2-oxo-4-phenylbutyl)-phenylmethoxycarbonylamino]-1-oxopropyl]-4-(4-fluorophenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-2-oxo-4-phenylbutyl)-phenylmethoxycarbonylamino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-benzamido-2-keto-4-phenyl-butyl)-carbobenzoxy-amino]propanoyl]-4-(4-fluorophenoxy)proline Formula: C39H38FN3O8 MolecularWeight: 695.732723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F)N(CC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F)N(CC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C39H38FN3O8/c1-26(37(46)43-23-32(22-34(43)38(47)48)51-31-19-17-30(40)18-20-31)42(39(49)50-25-28-13-7-3-8-14-28)24-35(44)33(21-27-11-5-2-6-12-27)41-36(45)29-15-9-4-10-16-29/h2-20,26,32-34H,21-25H2,1H3,(H,41,45)(H,47,48)