4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-tetradecyl-amino]-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: 4-[[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-tetradecyl-amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-[(1-carboxy-3-hydroxy-3-oxo-propyl)-tetradecyl-amino]-4-oxo-2-sulfo-butanoate CAS Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-tetradecylamino]-4-oxo-2-sulfobutanoate IUPAC Name: 4-[(1,4-dihydroxy-1,4-dioxobutan-2-yl)-tetradecylamino]-4-oxo-2-sulfobutanoate Traditional Name: 4-[(1-carboxy-3-hydroxy-3-keto-propyl)-myristyl-amino]-4-keto-2-sulfo-butyrate Formula: C22H38NO10S- MolecularWeight: 508.60282

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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)/p-1