2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(2-phenylethanoylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(2-phenylethanoylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[(2-phenylacetyl)amino]-3-(4-phenylbutylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[(1-oxo-2-phenylethyl)amino]-3-(4-phenylbutylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[(2-phenylacetyl)amino]-3-(4-phenylbutylamino)propyl]benzoic acid Traditional Name: 2-(carboxymethyloxy)-5-[3-keto-2-[(2-phenylacetyl)amino]-3-(4-phenylbutylamino)propyl]benzoic acid Formula: C30H32N2O7 MolecularWeight: 532.58428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C30H32N2O7/c33-27(19-22-12-5-2-6-13-22)32-25(29(36)31-16-8-7-11-21-9-3-1-4-10-21)18-23-14-15-26(39-20-28(34)35)24(17-23)30(37)38/h1-6,9-10,12-15,17,25H,7-8,11,16,18-20H2,(H,31,36)(H,32,33)(H,34,35)(H,37,38)