[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-3-15(2)22-21(26)23-18(24)14-27-20(25)19(16-10-6-4-7-11-16)28-17-12-8-5-9-13-17/h4-13,15,19H,3,14H2,1-2H3,(H2,22,23,24,26)/t15-,19-/m0/s1