[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22ClN3O6S MolecularWeight: 419.88038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H22ClN3O6S/c1-10(2)19-16(23)20-15(22)11(3)26-14(21)8-9-18-27(24,25)13-6-4-12(17)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3,(H2,19,20,22,23)/t11-/m0/s1