(2S)-3-(3-acetamido-4-oxidanyl-phenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-(3-acetamido-4-oxidanyl-phenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-(3-acetamido-4-hydroxy-phenyl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: (2S)-3-(3-acetamido-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-(3-acetamido-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-(3-acetamido-4-hydroxy-phenyl)-2-(tosylamino)propionic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6S/c1-11-3-6-14(7-4-11)27(25,26)20-16(18(23)24)10-13-5-8-17(22)15(9-13)19-12(2)21/h3-9,16,20,22H,10H2,1-2H3,(H,19,21)(H,23,24)/t16-/m0/s1