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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C18H26N2O4S/c1-5-19-16(21)13(3)24-18(23)15(9-10-25-4)20-17(22)14-8-6-7-12(2)11-14/h6-8,11,13,15H,5,9-10H2,1-4H3,(H,19,21)(H,20,22)/t13-,15-/m0/s1