(phenylmethyl) 6-[5-methylhexadecanoyl(oxidanyl)amino]-5-[(15-methyl-3-oxidanyl-hexadecanoyl)amino]-6-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) 6-[5-methylhexadecanoyl(oxidanyl)amino]-5-[(15-methyl-3-oxidanyl-hexadecanoyl)amino]-6-oxidanylidene-hexanoate Openeye Name: benzyl 5-[(3-hydroxy-15-methyl-hexadecanoyl)amino]-6-[hydroxy(5-methylhexadecanoyl)amino]-6-oxo-hexanoate CAS Name: 5-[(3-hydroxy-15-methyl-1-oxohexadecyl)amino]-6-[hydroxy-(5-methyl-1-oxohexadecyl)amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(3-hydroxy-15-methylhexadecanoyl)amino]-6-[hydroxy(5-methylhexadecanoyl)amino]-6-oxohexanoate Traditional Name: 5-[(3-hydroxy-15-methyl-hexadecanoyl)amino]-6-[hydroxy(5-methylhexadecanoyl)amino]-6-keto-hexanoic acid benzyl ester Formula: C47H82N2O7 MolecularWeight: 787.16318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)CCCC(=O)N(C(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)CC(CCCCCCCCCCCC(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCC(C)CCCC(=O)N(C(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)CC(CCCCCCCCCCCC(C)C)O)O

InChI

InChI=1S/C47H82N2O7/c1-5-6-7-8-9-11-15-18-22-29-40(4)30-26-35-45(52)49(55)47(54)43(34-27-36-46(53)56-38-41-31-23-20-24-32-41)48-44(51)37-42(50)33-25-19-16-13-10-12-14-17-21-28-39(2)3/h20,23-24,31-32,39-40,42-43,50,55H,5-19,21-22,25-30,33-38H2,1-4H3,(H,48,51)