2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(veratrylcarbamoylamino)butyric acid Formula: C15H22N2O5S MolecularWeight: 342.41058

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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)NC(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)