[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-5-10-20-17(22)14(3)25-19(24)16(9-11-26-4)21-18(23)15-8-6-7-13(2)12-15/h5-8,12,14,16H,1,9-11H2,2-4H3,(H,20,22)(H,21,23)/t14-,16+/m0/s1