2-(3-aminocarbonyl-1-azanyl-1-oxidanylidene-2-sulfo-henicosan-3-yl)butanedioic acid

Systemtic Name: 2-(3-aminocarbonyl-1-azanyl-1-oxidanylidene-2-sulfo-henicosan-3-yl)butanedioic acid Openeye Name: 2-[1-(2-amino-2-oxo-1-sulfo-ethyl)-1-carbamoyl-nonadecyl]butanedioic acid CAS Name: 2-(1-amino-3-carbamoyl-1-oxo-2-sulfoheneicosan-3-yl)butanedioic acid IUPAC Name: 2-(1-amino-3-carbamoyl-1-oxo-2-sulfohenicosan-3-yl)butanedioic acid Traditional Name: 2-[1-(2-amino-2-keto-1-sulfo-ethyl)-1-carbamoyl-nonadecyl]succinic acid Formula: C26H48N2O9S MolecularWeight: 564.73232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48N2O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(25(28)34,20(24(32)33)19-21(29)30)22(23(27)31)38(35,36)37/h20,22H,2-19H2,1H3,(H2,27,31)(H2,28,34)(H,29,30)(H,32,33)(H,35,36,37)