4-(methylamino)-2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanylidene-2-(phenylmethyl)pentanoic acid

Systemtic Name: 4-(methylamino)-2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanylidene-2-(phenylmethyl)pentanoic acid Openeye Name: 2-benzyl-4-(methylamino)-2-[methyl(p-tolylsulfonyl)amino]-3-oxo-pentanoic acid CAS Name: 4-(methylamino)-2-[methyl-(4-methylphenyl)sulfonylamino]-3-oxo-2-(phenylmethyl)pentanoic acid IUPAC Name: 2-benzyl-4-(methylamino)-2-[methyl-(4-methylphenyl)sulfonylamino]-3-oxopentanoic acid Traditional Name: 2-benzyl-3-keto-4-(methylamino)-2-[methyl(tosyl)amino]valeric acid Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-10-12-18(13-11-15)29(27,28)23(4)21(20(25)26,19(24)16(2)22-3)14-17-8-6-5-7-9-17/h5-13,16,22H,14H2,1-4H3,(H,25,26)