(2-azanyl-2-oxidanylidene-ethyl) (2R)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2R)-4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: (2-amino-2-oxo-ethyl) (2R)-4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2R)-4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid (2-amino-2-keto-ethyl) ester Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@H](CCSC)C(=O)OCC(=O)N

InChI

InChI=1S/C17H24N2O7S/c1-23-12-7-10(8-13(24-2)15(12)25-3)16(21)19-11(5-6-27-4)17(22)26-9-14(18)20/h7-8,11H,5-6,9H2,1-4H3,(H2,18,20)(H,19,21)/t11-/m1/s1