2-[(3-carboxy-3-sulfo-tridecanoyl)-octyl-amino]butanedioic acid

Systemtic Name: 2-[(3-carboxy-3-sulfo-tridecanoyl)-octyl-amino]butanedioic acid Openeye Name: 2-[(3-carboxy-3-sulfo-tridecanoyl)-octyl-amino]butanedioic acid CAS Name: 2-[(3-carboxy-1-oxo-3-sulfotridecyl)-octylamino]butanedioic acid IUPAC Name: 2-[(3-carboxy-3-sulfotridecanoyl)-octylamino]butanedioic acid Traditional Name: 2-[(3-carboxy-3-sulfo-tridecanoyl)-octyl-amino]succinic acid Formula: C26H47NO10S MolecularWeight: 565.71708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)N(CCCCCCCC)C(CC(=O)O)C(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(CC(=O)N(CCCCCCCC)C(CC(=O)O)C(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H47NO10S/c1-3-5-7-9-11-12-13-15-17-26(25(33)34,38(35,36)37)20-22(28)27(18-16-14-10-8-6-4-2)21(24(31)32)19-23(29)30/h21H,3-20H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)