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

Systemtic Name: 2-[[15-methyl-3-(15-methylhexadecanoyloxy)hexadecanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[15-methyl-3-(15-methylhexadecanoyloxy)hexadecanoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[15-methyl-3-(15-methyl-1-oxohexadecoxy)-1-oxohexadecyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[15-methyl-3-(15-methylhexadecanoyloxy)hexadecanoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[15-methyl-3-(15-methylhexadecanoyloxy)hexadecanoyl]amino]propionic acid Formula: C37H71NO6 MolecularWeight: 625.96274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H71NO6/c1-31(2)25-21-17-13-9-6-5-7-12-16-20-24-28-36(41)44-33(29-35(40)38-34(30-39)37(42)43)27-23-19-15-11-8-10-14-18-22-26-32(3)4/h31-34,39H,5-30H2,1-4H3,(H,38,40)(H,42,43)