(2S)-3-methyl-2-[(4-methylphenyl)sulfonylcarbamoyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylcarbamoyl-(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-2-[benzyl(p-tolylsulfonylcarbamoyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]-(phenylmethyl)amino]butanoic acid IUPAC Name: (2S)-2-[benzyl-[(4-methylphenyl)sulfonylcarbamoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl(tosylcarbamoyl)amino]-3-methyl-butyric acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CC2=CC=CC=C2)[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C20H24N2O5S/c1-14(2)18(19(23)24)22(13-16-7-5-4-6-8-16)20(25)21-28(26,27)17-11-9-15(3)10-12-17/h4-12,14,18H,13H2,1-3H3,(H,21,25)(H,23,24)/t18-/m0/s1