N-(3-Carboxy-1-Oxo-3-Sulfopropyl)-N-Octadecenyl-Aspartic Acid Tetrasodium Salt
[CAS# 81869-18-3]

Identification

• Name: N-(3-Carboxy-1-Oxo-3-Sulfopropyl)-N-Octadecenyl-Aspartic Acid Tetrasodium Salt
• Synonyms: Tetrasodium (2S)-2-[[(E)-Octadec-1-Enyl]-(4-Oxido-4-Oxo-3-Sulfonato-Butanoyl)Amino]Butanedioate; Tetrasodium (2S)-2-[[(E)-Octadec-1-Enyl]-(4-Oxido-1,4-Dioxo-3-Sulfonatobutyl)Amino]Butanedioate; Tetrasodium (2S)-2-[(4-Keto-4-Oxido-3-Sulfonato-Butanoyl)-[(E)-Octadec-1-Enyl]Amino]Succinate
• Molecular Formula: C₂₆H₄₁NNa₄O₁₀S
• Molecular Weight: 651.63
• CAS Registry Number: 81869-18-3
• SMILES: [C@@H](N(C(=O)CC([S]([O-])(=O)=O)C([O-])=O)\C=C\CCCCCCCCCCCCCCCC)(C([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C26H45NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h17-18,21-22H,2-16,19-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b18-17+;;;;/t21-,22?;;;;/m0..../s1
• InChIKey: OVSNCCHFVLZIHF-GVRTZLACSA-J