2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]butanoic acid CAS Name: 3-hydroxy-2-[[3-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]butanoic acid Traditional Name: 3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]butyric acid Formula: C39H74N2O7 MolecularWeight: 683.01406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NCCC(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)NCCC(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

InChI

InChI=1S/C39H74N2O7/c1-31(2)24-20-16-12-8-6-10-14-18-22-26-34(30-36(44)40-29-28-35(43)41-38(33(5)42)39(46)47)48-37(45)27-23-19-15-11-7-9-13-17-21-25-32(3)4/h31-34,38,42H,6-30H2,1-5H3,(H,40,44)(H,41,43)(H,46,47)