2-[[2-(ethanoylsulfanylmethylsulfanyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethylsulfanyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethylsulfanyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(acetylthio)methylthio]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethylsulfanyl)-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(acetylthio)methylthio]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C18H25NO4S2 MolecularWeight: 383.5254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)SCSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)SCSC(=O)C

InChI

InChI=1S/C18H25NO4S2/c1-12(2)9-15(18(22)23)19-17(21)16(25-11-24-13(3)20)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,21)(H,22,23)