[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)butanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-4-(methylthio)butyric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CO2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2)OC

InChI

InChI=1S/C21H26N2O7S/c1-27-16-7-6-14(11-18(16)28-2)12-22-19(24)13-30-21(26)15(8-10-31-3)23-20(25)17-5-4-9-29-17/h4-7,9,11,15H,8,10,12-13H2,1-3H3,(H,22,24)(H,23,25)/t15-/m0/s1