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

Systemtic Name: 2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]butanoic acid CAS Name: 3-hydroxy-2-[[2-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]butanoic acid Traditional Name: 3-hydroxy-2-[2-[[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)NC(C)C(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C39H74N2O7/c1-30(2)25-21-17-13-9-7-11-15-19-23-27-34(29-35(43)40-32(5)38(45)41-37(33(6)42)39(46)47)48-36(44)28-24-20-16-12-8-10-14-18-22-26-31(3)4/h30-34,37,42H,7-29H2,1-6H3,(H,40,43)(H,41,45)(H,46,47)