2-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)-tetradecyl-amino]butanedioic acid

Systemtic Name: 2-[(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)-tetradecyl-amino]butanedioic acid Openeye Name: 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-tetradecyl-amino]butanedioic acid CAS Name: 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-tetradecylamino]butanedioic acid IUPAC Name: 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-tetradecylamino]butanedioic acid Traditional Name: 2-[(4-hydroxy-4-keto-3-sulfo-butanoyl)-myristyl-amino]succinic acid Formula: C22H39NO10S MolecularWeight: 509.61076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H39NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23(17(21(27)28)15-20(25)26)19(24)16-18(22(29)30)34(31,32)33/h17-18H,2-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32,33)