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

Systemtic Name: 4-methyl-2-[[3-phenyl-3-(2-sulfanylethylsulfanyl)propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-3-(2-sulfanylethylsulfanyl)propanoyl]amino]pentanoic acid CAS Name: 2-[[3-(2-mercaptoethylthio)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-3-(2-sulfanylethylsulfanyl)propanoyl]amino]pentanoic acid Traditional Name: 2-[[3-(2-mercaptoethylthio)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C17H25NO3S2 MolecularWeight: 355.5153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC(C1=CC=CC=C1)SCCS

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CC(C1=CC=CC=C1)SCCS

InChI

InChI=1S/C17H25NO3S2/c1-12(2)10-14(17(20)21)18-16(19)11-15(23-9-8-22)13-6-4-3-5-7-13/h3-7,12,14-15,22H,8-11H2,1-2H3,(H,18,19)(H,20,21)