[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-3-12(2)18-16(22)19-14(20)11-25-15(21)9-10-17-26(23,24)13-7-5-4-6-8-13/h4-8,12,17H,3,9-11H2,1-2H3,(H2,18,19,20,22)/t12-/m0/s1