(2S)-3-[3,4-bis(oxidanyl)phenyl]-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid

Systemtic Name: (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid Openeye Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid Traditional Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(tosylcarbamoylamino)propionic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-10-2-5-12(6-3-10)27(25,26)19-17(24)18-13(16(22)23)8-11-4-7-14(20)15(21)9-11/h2-7,9,13,20-21H,8H2,1H3,(H,22,23)(H2,18,19,24)/t13-/m0/s1