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4-aminocarbonyl-3-sulfo-docosane-1,2,3-tricarboxylic acid

4-aminocarbonyl-3-sulfo-docosane-1,2,3-tricarboxylic acid

Systemtic Name:4-aminocarbonyl-3-sulfo-docosane-1,2,3-tricarboxylic acid
Openeye Name:4-carbamoyl-3-sulfo-docosane-1,2,3-tricarboxylic acid
CAS Name:4-carbamoyl-3-sulfodocosane-1,2,3-tricarboxylic acid
IUPAC Name:4-carbamoyl-3-sulfodocosane-1,2,3-tricarboxylic acid
Traditional Name:4-carbamoyl-3-sulfo-docosane-1,2,3-tricarboxylic acid
Formula: C26H47NO10S
MolecularWeight: 565.71708
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)N)C(C(CC(=O)O)C(=O)O)(C(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(=O)N)C(C(CC(=O)O)C(=O)O)(C(=O)O)S(=O)(=O)O


InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23(27)30)26(25(33)34,38(35,36)37)21(24(31)32)19-22(28)29/h20-21H,2-19H2,1H3,(H2,27,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36,37)


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