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2-(16-phenoxyhexadecanoylamino)-4-sulfanyl-butanoic acid

2-(16-phenoxyhexadecanoylamino)-4-sulfanyl-butanoic acid

Systemtic Name:2-(16-phenoxyhexadecanoylamino)-4-sulfanyl-butanoic acid
Openeye Name:2-(16-phenoxyhexadecanoylamino)-4-sulfanyl-butanoic acid
CAS Name:4-mercapto-2-[(1-oxo-16-phenoxyhexadecyl)amino]butanoic acid
IUPAC Name:2-(16-phenoxyhexadecanoylamino)-4-sulfanylbutanoic acid
Traditional Name:4-mercapto-2-(16-phenoxyhexadecanoylamino)butyric acid
Formula: C26H43NO4S
MolecularWeight: 465.68892
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O


InChI

InChI=1S/C26H43NO4S/c28-25(27-24(20-22-32)26(29)30)19-15-10-8-6-4-2-1-3-5-7-9-11-16-21-31-23-17-13-12-14-18-23/h12-14,17-18,24,32H,1-11,15-16,19-22H2,(H,27,28)(H,29,30)


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