[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C(C)SC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)SC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O4S/c1-4-11(2)17-16(21)18-14(19)10-22-15(20)12(3)23-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H2,17,18,19,21)/t11-,12-/m0/s1