2-(5-octylsulfanylpentanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(5-octylsulfanylpentanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(5-octylsulfanylpentanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[5-(octylthio)-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(5-octylsulfanylpentanoylamino)-3-phenylpropanoic acid Traditional Name: 2-[5-(octylthio)pentanoylamino]-3-phenyl-propionic acid Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCSCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H35NO3S/c1-2-3-4-5-6-11-16-27-17-12-10-15-21(24)23-20(22(25)26)18-19-13-8-7-9-14-19/h7-9,13-14,20H,2-6,10-12,15-18H2,1H3,(H,23,24)(H,25,26)