3-phenyl-2-(10-propylsulfanyldecanoylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(10-propylsulfanyldecanoylamino)propanoic acid Openeye Name: 3-phenyl-2-(10-propylsulfanyldecanoylamino)propanoic acid CAS Name: 2-[[1-oxo-10-(propylthio)decyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-(10-propylsulfanyldecanoylamino)propanoic acid Traditional Name: 3-phenyl-2-[10-(propylthio)decanoylamino]propionic acid Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3S/c1-2-16-27-17-12-7-5-3-4-6-11-15-21(24)23-20(22(25)26)18-19-13-9-8-10-14-19/h8-10,13-14,20H,2-7,11-12,15-18H2,1H3,(H,23,24)(H,25,26)