4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[(3,4,5-trimethoxyphenyl)methylamino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzyl)carbamoylamino]butyric acid Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C16H24N2O6S/c1-22-12-7-10(8-13(23-2)14(12)24-3)9-17-16(21)18-11(15(19)20)5-6-25-4/h7-8,11H,5-6,9H2,1-4H3,(H,19,20)(H2,17,18,21)