11-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]undecanoic acid

Systemtic Name: 11-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]undecanoic acid Openeye Name: 11-[(2-benzyl-3-sulfanyl-propanoyl)amino]undecanoic acid CAS Name: 11-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]undecanoic acid IUPAC Name: 11-[(2-benzyl-3-sulfanylpropanoyl)amino]undecanoic acid Traditional Name: 11-[(2-benzyl-3-mercapto-propanoyl)amino]undecanoic acid Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NCCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H33NO3S/c23-20(24)14-10-5-3-1-2-4-6-11-15-22-21(25)19(17-26)16-18-12-8-7-9-13-18/h7-9,12-13,19,26H,1-6,10-11,14-17H2,(H,22,25)(H,23,24)