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

Systemtic Name: 1-[2-[[3-benzamido-2-oxidanylidene-4-(4-phenylmethoxyphenyl)butyl]-phenylmethoxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-benzamido-4-(4-benzyloxyphenyl)-2-oxo-butyl]-benzyloxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-benzamido-2-oxo-4-(4-phenylmethoxyphenyl)butyl]-phenylmethoxycarbonylamino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-benzamido-2-oxo-4-(4-phenylmethoxyphenyl)butyl]-phenylmethoxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-benzamido-4-(4-benzoxyphenyl)-2-keto-butyl]-carbobenzoxy-amino]propanoyl]proline Formula: C40H41N3O8 MolecularWeight: 691.76884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)N(CC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)N(CC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C40H41N3O8/c1-28(38(46)42-23-11-18-35(42)39(47)48)43(40(49)51-27-31-14-7-3-8-15-31)25-36(44)34(41-37(45)32-16-9-4-10-17-32)24-29-19-21-33(22-20-29)50-26-30-12-5-2-6-13-30/h2-10,12-17,19-22,28,34-35H,11,18,23-27H2,1H3,(H,41,45)(H,47,48)