2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(3-benzamido-2-oxo-4-phenyl-butyl)-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[(3-benzamido-2-oxo-4-phenylbutyl)-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(3-benzamido-2-oxo-4-phenylbutyl)-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(3-benzamido-2-keto-4-phenyl-butyl)-tosyl-amino]acetic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H26N2O6S/c1-19-12-14-22(15-13-19)35(33,34)28(18-25(30)31)17-24(29)23(16-20-8-4-2-5-9-20)27-26(32)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,32)(H,30,31)