(2S)-2-[octadecyl-(4-oxidanyl-4-oxidanylidene-2-sulfo-butanoyl)amino]butanedioic acid

Systemtic Name: (2S)-2-[octadecyl-(4-oxidanyl-4-oxidanylidene-2-sulfo-butanoyl)amino]butanedioic acid Openeye Name: (2S)-2-[(4-hydroxy-4-oxo-2-sulfo-butanoyl)-octadecyl-amino]butanedioic acid CAS Name: (2S)-2-[(4-hydroxy-1,4-dioxo-2-sulfobutyl)-octadecylamino]butanedioic acid IUPAC Name: (2S)-2-[(4-hydroxy-4-oxo-2-sulfobutanoyl)-octadecylamino]butanedioic acid Traditional Name: (2S)-2-[(4-hydroxy-4-keto-2-sulfo-butanoyl)-stearyl-amino]succinic acid Formula: C26H47NO10S MolecularWeight: 565.71708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)O)C(=O)O)C(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(26(33)34)19-23(28)29)25(32)22(20-24(30)31)38(35,36)37/h21-22H,2-20H2,1H3,(H,28,29)(H,30,31)(H,33,34)(H,35,36,37)/t21-,22?/m0/s1