4-aminocarbonyl-2-ethyl-2,4,6,6-tetramethyl-7-oxidanylidene-7-(2-sulfopropan-2-ylamino)heptanoic acid

Systemtic Name: 4-aminocarbonyl-2-ethyl-2,4,6,6-tetramethyl-7-oxidanylidene-7-(2-sulfopropan-2-ylamino)heptanoic acid Openeye Name: 4-carbamoyl-2-ethyl-2,4,6,6-tetramethyl-7-[(1-methyl-1-sulfo-ethyl)amino]-7-oxo-heptanoic acid CAS Name: 4-carbamoyl-2-ethyl-2,4,6,6-tetramethyl-7-oxo-7-(2-sulfopropan-2-ylamino)heptanoic acid IUPAC Name: 4-carbamoyl-2-ethyl-2,4,6,6-tetramethyl-7-oxo-7-(2-sulfopropan-2-ylamino)heptanoic acid Traditional Name: 4-carbamoyl-2-ethyl-7-keto-2,4,6,6-tetramethyl-7-[(1-methyl-1-sulfo-ethyl)amino]enanthic acid Formula: C17H32N2O7S MolecularWeight: 408.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)NC(C)(C)S(=O)(=O)O)C(=O)N)C(=O)O

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)NC(C)(C)S(=O)(=O)O)C(=O)N)C(=O)O

InChI

InChI=1S/C17H32N2O7S/c1-8-16(6,13(22)23)10-17(7,11(18)20)9-14(2,3)12(21)19-15(4,5)27(24,25)26/h8-10H2,1-7H3,(H2,18,20)(H,19,21)(H,22,23)(H,24,25,26)