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2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoic acid

2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoic acid

Systemtic Name:2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoic acid
Openeye Name:2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propanoic acid
CAS Name:2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]-3-phenylpropanoic acid
IUPAC Name:2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenylpropanoic acid
Traditional Name:2-(3-hexadecanoyloxyoctadecanoylamino)-3-phenyl-propionic acid
Formula: C43H75NO5
MolecularWeight: 686.0593
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C43H75NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-39(37-41(45)44-40(43(47)48)36-38-32-28-27-29-33-38)49-42(46)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,39-40H,3-26,30-31,34-37H2,1-2H3,(H,44,45)(H,47,48)


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