2-azanyl-3-methyl-3-[2-oxidanyl-3-[oxidanyl(2-tetradecyloctadecoxy)phosphoryl]oxy-propyl]sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-3-methyl-3-[2-oxidanyl-3-[oxidanyl(2-tetradecyloctadecoxy)phosphoryl]oxy-propyl]sulfanyl-butanoic acid Openeye Name: 2-amino-3-[2-hydroxy-3-[hydroxy(2-tetradecyloctadecoxy)phosphoryl]oxy-propyl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-amino-3-[[2-hydroxy-3-[hydroxy(2-tetradecyloctadecoxy)phosphoryl]oxypropyl]thio]-3-methylbutanoic acid IUPAC Name: 2-amino-3-[2-hydroxy-3-[hydroxy(2-tetradecyloctadecoxy)phosphoryl]oxypropyl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-amino-3-[[2-hydroxy-3-[hydroxy(2-myristyloctadecoxy)phosphoryl]oxy-propyl]thio]-3-methyl-butyric acid Formula: C40H82NO7PS MolecularWeight: 752.120341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COP(=O)(O)OCC(CSC(C)(C)C(C(=O)O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COP(=O)(O)OCC(CSC(C)(C)C(C(=O)O)N)O

InChI

InChI=1S/C40H82NO7PS/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)