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2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid

2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name:2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
Openeye Name:2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid
CAS Name:2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]-3-phenylpropanoic acid
IUPAC Name:2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoic acid
Traditional Name:2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid
Formula: C48H84N2O6
MolecularWeight: 785.19036
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CCCCCCCCCCCCCCC


InChI

InChI=1S/C48H84N2O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-32-36-42(56-45(52)37-33-28-26-24-22-20-18-16-14-12-10-8-6-2)39-44(51)50-46(40(3)4)47(53)49-43(48(54)55)38-41-34-30-29-31-35-41/h29-31,34-35,40,42-43,46H,5-28,32-33,36-39H2,1-4H3,(H,49,53)(H,50,51)(H,54,55)


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