7-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]heptanoic acid

Systemtic Name: 7-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]heptanoic acid Openeye Name: 7-[(2-benzyl-3-sulfanyl-propanoyl)amino]heptanoic acid CAS Name: 7-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]heptanoic acid IUPAC Name: 7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid Traditional Name: 7-[(2-benzyl-3-mercapto-propanoyl)amino]enanthic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c19-16(20)10-6-1-2-7-11-18-17(21)15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,15,22H,1-2,6-7,10-13H2,(H,18,21)(H,19,20)