[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-27-15-6-4-3-5-13(15)17(24)21-14(9-10-29-2)18(25)28-11-16(23)22-19(26)20-12-7-8-12/h3-6,12,14H,7-11H2,1-2H3,(H,21,24)(H2,20,22,23,26)/t14-/m1/s1