6-methyl-2-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]heptanedioic acid

Systemtic Name: 6-methyl-2-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]heptanedioic acid Openeye Name: 6-methyl-2-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]heptanedioic acid CAS Name: 2-mercapto-6-methyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]heptanedioic acid IUPAC Name: 6-methyl-2-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]heptanedioic acid Traditional Name: 2-mercapto-6-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pimelic acid Formula: C18H25NO8S MolecularWeight: 415.458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C(=O)O)(NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)S)C(=O)O

Isomeric SMILES

CC(CCCC(C(=O)O)(NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)S)C(=O)O

InChI

InChI=1S/C18H25NO8S/c1-10(16(21)22)6-5-7-18(28,17(23)24)19-15(20)11-8-12(25-2)14(27-4)13(9-11)26-3/h8-10,28H,5-7H2,1-4H3,(H,19,20)(H,21,22)(H,23,24)