2-(phenylmethylsulfanyl)-2-(6-sulfanylhexanoylamino)propanoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-2-(6-sulfanylhexanoylamino)propanoic acid Openeye Name: 2-benzylsulfanyl-2-(6-sulfanylhexanoylamino)propanoic acid CAS Name: 2-[(6-mercapto-1-oxohexyl)amino]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-(6-sulfanylhexanoylamino)propanoic acid Traditional Name: 2-(benzylthio)-2-(6-mercaptohexanoylamino)propionic acid Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)CCCCCS)SCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)(NC(=O)CCCCCS)SCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S2/c1-16(15(19)20,17-14(18)10-6-3-7-11-21)22-12-13-8-4-2-5-9-13/h2,4-5,8-9,21H,3,6-7,10-12H2,1H3,(H,17,18)(H,19,20)