1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-[(phenylmethyl)amino]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-[(phenylmethyl)amino]pyrrolidine-2-carboxylic acid Openeye Name: 4-(benzylamino)-1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4-[(phenylmethyl)amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(benzylamino)-1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(benzylamino)-1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]proline Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O5/c1-3-35-27(34)23(15-14-20-10-6-4-7-11-20)29-19(2)25(31)30-18-22(16-24(30)26(32)33)28-17-21-12-8-5-9-13-21/h4-13,19,22-24,28-29H,3,14-18H2,1-2H3,(H,32,33)