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

Systemtic Name: 1-[2-[(3-benzamido-2-oxidanylidene-4-pyridin-3-yl-butyl)-phenylmethoxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-benzamido-2-oxo-4-(3-pyridyl)butyl]-benzyloxycarbonyl-amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-benzamido-2-oxo-4-(3-pyridinyl)butyl]-phenylmethoxycarbonylamino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(3-benzamido-2-oxo-4-pyridin-3-ylbutyl)-phenylmethoxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-benzamido-2-keto-4-(3-pyridyl)butyl]-carbobenzoxy-amino]propanoyl]proline Formula: C32H34N4O7 MolecularWeight: 586.63496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)N(CC(=O)C(CC2=CN=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)N(CC(=O)C(CC2=CN=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H34N4O7/c1-22(30(39)35-17-9-15-27(35)31(40)41)36(32(42)43-21-23-10-4-2-5-11-23)20-28(37)26(18-24-12-8-16-33-19-24)34-29(38)25-13-6-3-7-14-25/h2-8,10-14,16,19,22,26-27H,9,15,17-18,20-21H2,1H3,(H,34,38)(H,40,41)