[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C16H23N3O6S/c1-11(2)18-16(22)19-14(20)10-25-15(21)8-9-17-26(23,24)13-6-4-12(3)5-7-13/h4-7,11,17H,8-10H2,1-3H3,(H2,18,19,20,22)