2-(12-methylsulfanyldodecanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(12-methylsulfanyldodecanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(12-methylsulfanyldodecanoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[12-(methylthio)-1-oxododecyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(12-methylsulfanyldodecanoylamino)-3-phenylpropanoic acid Traditional Name: 2-[12-(methylthio)dodecanoylamino]-3-phenyl-propionic acid Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3S/c1-27-17-13-8-6-4-2-3-5-7-12-16-21(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)