2-[[3-methyl-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[3-methyl-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]butanoyl]amino]pentanedioic acid Openeye Name: 2-[[3-methyl-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]butanoyl]amino]pentanedioic acid CAS Name: 2-[[3-methyl-2-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]-1-oxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[3-methyl-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]butanoyl]amino]pentanedioic acid Traditional Name: 2-[[3-methyl-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]butanoyl]amino]glutaric acid Formula: C42H78N2O8 MolecularWeight: 739.07732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78N2O8/c1-32(2)25-21-17-13-9-7-11-15-19-23-27-35(52-39(48)28-24-20-16-12-8-10-14-18-22-26-33(3)4)31-37(45)44-40(34(5)6)41(49)43-36(42(50)51)29-30-38(46)47/h32-36,40H,7-31H2,1-6H3,(H,43,49)(H,44,45)(H,46,47)(H,50,51)