[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-16(2)13-14-23-22(27)24-19(25)15-28-21(26)20(17-9-5-3-6-10-17)29-18-11-7-4-8-12-18/h3-12,16,20H,13-15H2,1-2H3,(H2,23,24,25,27)/t20-/m0/s1