4-[2-[2-hydroxyethyl-[3-(3-oxidanyltridecylamino)propanoyl]amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[2-[2-hydroxyethyl-[3-(3-oxidanyltridecylamino)propanoyl]amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)propanoyl]amino]ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)-1-oxopropyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)propanoyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[2-[2-hydroxyethyl-[3-(3-hydroxytridecylamino)propanoyl]amino]ethoxy]-4-keto-2-sulfo-butyric acid Formula: C24H46N2O10S MolecularWeight: 554.69444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCNCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCC(CCNCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C24H46N2O10S/c1-2-3-4-5-6-7-8-9-10-20(28)11-13-25-14-12-22(29)26(15-17-27)16-18-36-23(30)19-21(24(31)32)37(33,34)35/h20-21,25,27-28H,2-19H2,1H3,(H,31,32)(H,33,34,35)