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

Systemtic Name: 2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propionic acid Formula: C35H67NO6 MolecularWeight: 597.90958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H67NO6/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-33(38)36-32(28-37)35(40)41)42-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-32,37H,5-28H2,1-4H3,(H,36,38)(H,40,41)