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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C18H24N2O5S/c1-24-15-6-4-3-5-13(15)17(22)20-14(9-10-26-2)18(23)25-11-16(21)19-12-7-8-12/h3-6,12,14H,7-11H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1