2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[3-benzylsulfanyl-2-(p-tolylsulfonylamino)propanoyl]amino]acetic acid CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-(phenylmethylthio)propyl]amino]acetic acid IUPAC Name: 2-[[3-benzylsulfanyl-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]acetic acid Traditional Name: 2-[[3-(benzylthio)-2-(tosylamino)propanoyl]amino]acetic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C19H22N2O5S2/c1-14-7-9-16(10-8-14)28(25,26)21-17(19(24)20-11-18(22)23)13-27-12-15-5-3-2-4-6-15/h2-10,17,21H,11-13H2,1H3,(H,20,24)(H,22,23)