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

Systemtic Name: 2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[3-[[15-methyl-3-(13-methyl-1-oxotetradecoxy)-1-oxohexadecyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[3-[[15-methyl-3-(13-methyltetradecanoyloxy)hexadecanoyl]amino]propanoylamino]propionic acid Formula: C38H72N2O7 MolecularWeight: 668.98748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H72N2O7/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-33(29-36(43)39-28-27-35(42)40-34(30-41)38(45)46)47-37(44)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-34,41H,5-30H2,1-4H3,(H,39,43)(H,40,42)(H,45,46)