[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-4-17-16(22)19-15(21)12(3)25-14(20)9-10-18-26(23,24)13-7-5-11(2)6-8-13/h5-8,12,18H,4,9-10H2,1-3H3,(H2,17,19,21,22)/t12-/m0/s1