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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(allylcarbamoylamino)-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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-4-10-20-19(26)22-16(23)12-28-18(25)14(9-11-29-3)21-17(24)13-7-5-6-8-15(13)27-2/h4-8,14H,1,9-12H2,2-3H3,(H,21,24)(H2,20,22,23,26)/t14-/m1/s1