[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C(=O)O[C@H](C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25NO5S/c1-15-8-7-11-17(14-15)20(24)23-18(12-13-29-3)21(25)28-19(22(26)27-2)16-9-5-4-6-10-16/h4-11,14,18-19H,12-13H2,1-3H3,(H,23,24)/t18-,19+/m0/s1