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

Systemtic Name: (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(veratrylcarbamoylamino)butyrate Formula: C15H21N2O5S- MolecularWeight: 341.40264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NC(CCSC)C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5S/c1-21-12-5-4-10(8-13(12)22-2)9-16-15(20)17-11(14(18)19)6-7-23-3/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/p-1/t11-/m0/s1