methyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(homoveratrylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)N[C@@H](CCSC)C(=O)OC)OC

InChI

InChI=1S/C17H26N2O5S/c1-22-14-6-5-12(11-15(14)23-2)7-9-18-17(21)19-13(8-10-25-4)16(20)24-3/h5-6,11,13H,7-10H2,1-4H3,(H2,18,19,21)/t13-/m0/s1