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(2R)-2-(octadecanoylamino)-3-(phenylmethylsulfanyl)propanoic acid

(2R)-2-(octadecanoylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name:(2R)-2-(octadecanoylamino)-3-(phenylmethylsulfanyl)propanoic acid
Openeye Name:(2R)-3-benzylsulfanyl-2-(octadecanoylamino)propanoic acid
CAS Name:(2R)-2-(1-oxooctadecylamino)-3-(phenylmethylthio)propanoic acid
IUPAC Name:(2R)-3-benzylsulfanyl-2-(octadecanoylamino)propanoic acid
Traditional Name:(2R)-3-(benzylthio)-2-stearamido-propionic acid
Formula: C28H47NO3S
MolecularWeight: 477.74268
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CSCC1=CC=CC=C1)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O


InChI

InChI=1S/C28H47NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(30)29-26(28(31)32)24-33-23-25-20-17-16-18-21-25/h16-18,20-21,26H,2-15,19,22-24H2,1H3,(H,29,30)(H,31,32)/t26-/m0/s1


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