(4S)-4-[(1S)-1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]oxy-2-propoxycarbonyloxy-ethoxy]carbonyl-3-tridecyl-octadecanoic acid

Systemtic Name: (4S)-4-[(1S)-1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]oxy-2-propoxycarbonyloxy-ethoxy]carbonyl-3-tridecyl-octadecanoic acid Openeye Name: (4S)-4-[(1S)-1-[(2R)-2-amino-3-sulfanyl-propanoyl]oxy-2-propoxycarbonyloxy-ethoxy]carbonyl-3-tridecyl-octadecanoic acid CAS Name: (4S)-4-[[(1S)-1-[(2R)-2-amino-3-mercapto-1-oxopropoxy]-2-[oxo(propoxy)methoxy]ethoxy]-oxomethyl]-3-tridecyloctadecanoic acid IUPAC Name: (4S)-4-[(1S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2-propoxycarbonyloxyethoxy]carbonyl-3-tridecyloctadecanoic acid Traditional Name: (4S)-4-[(1S)-1-[(2R)-2-amino-3-mercapto-propanoyl]oxy-2-propoxycarbonyloxy-ethoxy]carbonyl-3-tridecyl-stearic acid Formula: C41H77NO9S MolecularWeight: 760.11638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CCCCCCCCCCCCC)CC(=O)O)C(=O)OC(COC(=O)OCCC)OC(=O)C(CS)N

Isomeric SMILES

CCCCCCCCCCCCCC[C@@H](C(CCCCCCCCCCCCC)CC(=O)O)C(=O)O[C@H](COC(=O)OCCC)OC(=O)[C@H](CS)N

InChI

InChI=1S/C41H77NO9S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-35(34(31-37(43)44)28-26-24-22-20-18-16-14-12-10-8-5-2)39(45)50-38(51-40(46)36(42)33-52)32-49-41(47)48-30-6-3/h34-36,38,52H,4-33,42H2,1-3H3,(H,43,44)/t34?,35-,36-,38-/m0/s1