(2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[(3,4,5-trimethoxyphenyl)methylamino]methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3,4,5-trimethoxybenzyl)carbamoylamino]butyrate Formula: C16H23N2O6S- MolecularWeight: 371.42862

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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)N[C@@H](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)/p-1/t11-/m0/s1