4-[2-carboxyethyl-[2-[3-methylbutyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]benzoic acid

Systemtic Name: 4-[2-carboxyethyl-[2-[3-methylbutyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-2-oxidanylidene-ethyl]carbamoyl]benzoic acid Openeye Name: 4-[[2-[(2-anilino-2-oxo-ethyl)-isopentyl-amino]-2-oxo-ethyl]-(2-carboxyethyl)carbamoyl]benzoic acid CAS Name: 4-[[[2-[(2-anilino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-(2-carboxyethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[2-[(2-anilino-2-oxoethyl)-(3-methylbutyl)amino]-2-oxoethyl]-(2-carboxyethyl)carbamoyl]benzoic acid Traditional Name: 4-[[2-[(2-anilino-2-keto-ethyl)-isoamyl-amino]-2-keto-ethyl]-(2-carboxyethyl)carbamoyl]benzoic acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC=CC=C1)C(=O)CN(CCC(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC=CC=C1)C(=O)CN(CCC(=O)O)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C26H31N3O7/c1-18(2)12-14-28(16-22(30)27-21-6-4-3-5-7-21)23(31)17-29(15-13-24(32)33)25(34)19-8-10-20(11-9-19)26(35)36/h3-11,18H,12-17H2,1-2H3,(H,27,30)(H,32,33)(H,35,36)