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

Systemtic Name: 1-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)amino]propanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(3-benzamido-2-oxo-4-phenyl-butyl)amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3-benzamido-2-oxo-4-phenylbutyl)amino]-1-oxopropyl]-4-(4-fluorophenoxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-2-oxo-4-phenylbutyl)amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(3-benzamido-2-keto-4-phenyl-butyl)amino]propanoyl]-4-(4-fluorophenoxy)proline Formula: C31H32FN3O6 MolecularWeight: 561.600683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F)NCC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F)NCC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H32FN3O6/c1-20(30(38)35-19-25(17-27(35)31(39)40)41-24-14-12-23(32)13-15-24)33-18-28(36)26(16-21-8-4-2-5-9-21)34-29(37)22-10-6-3-7-11-22/h2-15,20,25-27,33H,16-19H2,1H3,(H,34,37)(H,39,40)