sodium 2-azanyl-3-methyl-3-[2-oxidanyl-3-[oxidanyl(2-tetradecyloctadecoxy)phosphoryl]oxy-propyl]sulfanyl-butanoate

Systemtic Name: sodium 2-azanyl-3-methyl-3-[2-oxidanyl-3-[oxidanyl(2-tetradecyloctadecoxy)phosphoryl]oxy-propyl]sulfanyl-butanoate Openeye Name: sodium 2-amino-3-[2-hydroxy-3-[hydroxy(2-tetradecyloctadecoxy)phosphoryl]oxy-propyl]sulfanyl-3-methyl-butanoate CAS Name: sodium 2-amino-3-[[2-hydroxy-3-[hydroxy(2-tetradecyloctadecoxy)phosphoryl]oxypropyl]thio]-3-methylbutanoate IUPAC Name: sodium 2-amino-3-[2-hydroxy-3-[hydroxy(2-tetradecyloctadecoxy)phosphoryl]oxypropyl]sulfanyl-3-methylbutanoate Traditional Name: sodium 2-amino-3-[[2-hydroxy-3-[hydroxy(2-myristyloctadecoxy)phosphoryl]oxy-propyl]thio]-3-methyl-butyrate Formula: C40H81NNaO7PS MolecularWeight: 774.102171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COP(=O)(O)OCC(CSC(C)(C)C(C(=O)[O-])N)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COP(=O)(O)OCC(CSC(C)(C)C(C(=O)[O-])N)O.[Na+]

InChI

InChI=1S/C40H82NO7PS.Na/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36(31-29-27-25-23-21-18-16-14-12-10-8-6-2)33-47-49(45,46)48-34-37(42)35-50-40(3,4)38(41)39(43)44;/h36-38,42H,5-35,41H2,1-4H3,(H,43,44)(H,45,46);/q;+1/p-1