(2S)-2-[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(4-acetamidophenyl)sulfonyl-benzyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(4-acetamidophenyl)sulfonyl-benzylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonyl-benzyl-amino]-3-methyl-butyric acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-14(2)19(20(24)25)22(13-16-7-5-4-6-8-16)28(26,27)18-11-9-17(10-12-18)21-15(3)23/h4-12,14,19H,13H2,1-3H3,(H,21,23)(H,24,25)/t19-/m0/s1