(3R,4R)-4-oxidanyl-3-[(3,4,5-trimethoxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: (3R,4R)-4-oxidanyl-3-[(3,4,5-trimethoxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: (3R,4R)-4-hydroxy-3-[(3,4,5-trimethoxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: (3R,4R)-4-hydroxy-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-1-azepanecarboxylic acid IUPAC Name: (3R,4R)-4-hydroxy-3-[(3,4,5-trimethoxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: (3R,4R)-4-hydroxy-3-[(3,4,5-trimethoxybenzoyl)amino]azepane-1-carboxylic acid Formula: C17H24N2O7 MolecularWeight: 368.38166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CN(CCCC2O)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N[C@@H]2CN(CCC[C@H]2O)C(=O)O

InChI

InChI=1S/C17H24N2O7/c1-24-13-7-10(8-14(25-2)15(13)26-3)16(21)18-11-9-19(17(22)23)6-4-5-12(11)20/h7-8,11-12,20H,4-6,9H2,1-3H3,(H,18,21)(H,22,23)/t11-,12-/m1/s1