6-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]hexanoic acid Openeye Name: 6-[(2-benzyl-3-sulfanyl-propanoyl)amino]hexanoic acid CAS Name: 6-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-[(2-benzyl-3-sulfanylpropanoyl)amino]hexanoic acid Traditional Name: 6-[(2-benzyl-3-mercapto-propanoyl)amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c18-15(19)9-5-2-6-10-17-16(20)14(12-21)11-13-7-3-1-4-8-13/h1,3-4,7-8,14,21H,2,5-6,9-12H2,(H,17,20)(H,18,19)