2-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]hexanedioic acid

Systemtic Name: 2-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]hexanedioic acid Openeye Name: 2-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]hexanedioic acid CAS Name: 2-mercapto-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]hexanedioic acid IUPAC Name: 2-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]hexanedioic acid Traditional Name: 2-mercapto-2-[(3,4,5-trimethoxybenzoyl)amino]adipic acid Formula: C16H21NO8S MolecularWeight: 387.40484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCCC(=O)O)(C(=O)O)S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCCC(=O)O)(C(=O)O)S

InChI

InChI=1S/C16H21NO8S/c1-23-10-7-9(8-11(24-2)13(10)25-3)14(20)17-16(26,15(21)22)6-4-5-12(18)19/h7-8,26H,4-6H2,1-3H3,(H,17,20)(H,18,19)(H,21,22)