(2S)-3-[(3-methylphenyl)carbonylamino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-[(3-methylphenyl)carbonylamino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-[(3-methylbenzoyl)amino]-2-(p-tolylsulfonylamino)propanoic acid CAS Name: (2S)-3-[[(3-methylphenyl)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-[(3-methylbenzoyl)amino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-(m-toluoylamino)-2-(tosylamino)propionic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-12-6-8-15(9-7-12)26(24,25)20-16(18(22)23)11-19-17(21)14-5-3-4-13(2)10-14/h3-10,16,20H,11H2,1-2H3,(H,19,21)(H,22,23)/t16-/m0/s1