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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-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-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisoylamino)butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1OC

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C18H26N2O5S/c1-5-19-16(21)12(2)25-18(23)14(10-11-26-4)20-17(22)13-8-6-7-9-15(13)24-3/h6-9,12,14H,5,10-11H2,1-4H3,(H,19,21)(H,20,22)/t12-,14-/m0/s1