2-[(3-acetamidophenyl)carbonyl-[(4-tert-butylphenyl)sulfonylamino]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[(3-acetamidophenyl)carbonyl-[(4-tert-butylphenyl)sulfonylamino]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[(3-acetamidobenzoyl)-[(4-tert-butylphenyl)sulfonylamino]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[(3-acetamidophenyl)-oxomethyl]-[(4-tert-butylphenyl)sulfonylamino]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[(3-acetamidobenzoyl)-[(4-tert-butylphenyl)sulfonylamino]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[(3-acetamidobenzoyl)-[(4-tert-butylphenyl)sulfonylamino]amino]-3-(4-phenylphenyl)propionic acid Formula: C34H35N3O6S MolecularWeight: 613.7232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N(C(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N(C(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C34H35N3O6S/c1-23(38)35-29-12-8-11-27(22-29)32(39)37(36-44(42,43)30-19-17-28(18-20-30)34(2,3)4)31(33(40)41)21-24-13-15-26(16-14-24)25-9-6-5-7-10-25/h5-20,22,31,36H,21H2,1-4H3,(H,35,38)(H,40,41)