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

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C21H25N3O7S/c1-29-17-8-4-3-7-15(17)19(26)23-16(9-11-32-2)20(27)31-13-18(25)24-21(28)22-12-14-6-5-10-30-14/h3-8,10,16H,9,11-13H2,1-2H3,(H,23,26)(H2,22,24,25,28)/t16-/m1/s1