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5-oxidanylidene-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoic acid

5-oxidanylidene-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoic acid

Systemtic Name:5-oxidanylidene-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoic acid
Openeye Name:5-[1-(benzyloxymethyl)pentadecylamino]-5-oxo-pentanoic acid
CAS Name:5-oxo-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoic acid
IUPAC Name:5-oxo-5-(1-phenylmethoxyhexadecan-2-ylamino)pentanoic acid
Traditional Name:5-[1-(benzoxymethyl)pentadecylamino]-5-keto-valeric acid
Formula: C28H47NO4
MolecularWeight: 461.67708
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COCC1=CC=CC=C1)NC(=O)CCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCC(COCC1=CC=CC=C1)NC(=O)CCCC(=O)O


InChI

InChI=1S/C28H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-26(29-27(30)21-17-22-28(31)32)24-33-23-25-18-14-13-15-19-25/h13-15,18-19,26H,2-12,16-17,20-24H2,1H3,(H,29,30)(H,31,32)


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