2-(11-ethylsulfanylundecanoylamino)-3-phenyl-propanoate

Systemtic Name: 2-(11-ethylsulfanylundecanoylamino)-3-phenyl-propanoate Openeye Name: 2-(11-ethylsulfanylundecanoylamino)-3-phenyl-propanoate CAS Name: 2-[[11-(ethylthio)-1-oxoundecyl]amino]-3-phenylpropanoate IUPAC Name: 2-(11-ethylsulfanylundecanoylamino)-3-phenylpropanoate Traditional Name: 2-[11-(ethylthio)undecanoylamino]-3-phenyl-propionate Formula: C22H34NO3S- MolecularWeight: 392.57526

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCSCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C22H35NO3S/c1-2-27-17-13-8-6-4-3-5-7-12-16-21(24)23-20(22(25)26)18-19-14-10-9-11-15-19/h9-11,14-15,20H,2-8,12-13,16-18H2,1H3,(H,23,24)(H,25,26)/p-1