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

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(4-phenylbutylamino)-2-(5-phenylpentanoylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(4-phenylbutylamino)-2-(5-phenylpentanoylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[(1-oxo-5-phenylpentyl)amino]-3-(4-phenylbutylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(4-phenylbutylamino)-2-(5-phenylpentanoylamino)propyl]benzoic acid Traditional Name: 2-(carboxymethyloxy)-5-[3-keto-3-(4-phenylbutylamino)-2-(5-phenylpentanoylamino)propyl]benzoic acid Formula: C33H38N2O7 MolecularWeight: 574.66402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)NC(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)C(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)NC(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)C(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C33H38N2O7/c36-30(17-8-7-15-24-11-3-1-4-12-24)35-28(32(39)34-20-10-9-16-25-13-5-2-6-14-25)22-26-18-19-29(42-23-31(37)38)27(21-26)33(40)41/h1-6,11-14,18-19,21,28H,7-10,15-17,20,22-23H2,(H,34,39)(H,35,36)(H,37,38)(H,40,41)