2-[[2-[(4-tert-butylphenyl)sulfonylamino]-5-iodanyl-phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-5-iodanyl-phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-5-iodo-benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[2-[(4-tert-butylphenyl)sulfonylamino]-5-iodophenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-5-iodobenzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-5-iodo-benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C32H31IN2O5S MolecularWeight: 682.56841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)I)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)I)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H31IN2O5S/c1-32(2,3)24-13-16-26(17-14-24)41(39,40)35-28-18-15-25(33)20-27(28)30(36)34-29(31(37)38)19-21-9-11-23(12-10-21)22-7-5-4-6-8-22/h4-18,20,29,35H,19H2,1-3H3,(H,34,36)(H,37,38)