[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C17H23N3O6S/c1-18-17(24)20-14(21)10-26-16(23)12(8-9-27-3)19-15(22)11-6-4-5-7-13(11)25-2/h4-7,12H,8-10H2,1-3H3,(H,19,22)(H2,18,20,21,24)/t12-/m0/s1