1-[carboxymethyl-[1-(phenylmethoxycarbonylamino)butyl]carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[carboxymethyl-[1-(phenylmethoxycarbonylamino)butyl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(benzyloxycarbonylamino)butyl-(carboxymethyl)carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[carboxymethyl-[1-(phenylmethoxycarbonylamino)butyl]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[carboxymethyl-[1-(phenylmethoxycarbonylamino)butyl]carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-(benzyloxycarbonylamino)butyl-(carboxymethyl)carbamoyl]proline Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)OCC1=CC=CC=C1)N(CC(=O)O)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCCC(NC(=O)OCC1=CC=CC=C1)N(CC(=O)O)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H27N3O7/c1-2-7-16(21-19(28)30-13-14-8-4-3-5-9-14)23(12-17(24)25)20(29)22-11-6-10-15(22)18(26)27/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,21,28)(H,24,25)(H,26,27)