2-(phenylmethylsulfanyl)-2-(4-sulfanylbutanoylamino)propanoic acid

Systemtic Name: 2-(phenylmethylsulfanyl)-2-(4-sulfanylbutanoylamino)propanoic acid Openeye Name: 2-benzylsulfanyl-2-(4-sulfanylbutanoylamino)propanoic acid CAS Name: 2-[(4-mercapto-1-oxobutyl)amino]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-(4-sulfanylbutanoylamino)propanoic acid Traditional Name: 2-(benzylthio)-2-(4-mercaptobutanoylamino)propionic acid Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S2/c1-14(13(17)18,15-12(16)8-5-9-19)20-10-11-6-3-2-4-7-11/h2-4,6-7,19H,5,8-10H2,1H3,(H,15,16)(H,17,18)