4-methyl-2-(2-phenylsulfanylethanoylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(2-phenylsulfanylethanoylamino)pentanoic acid Openeye Name: 4-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(phenylthio)acetyl]amino]valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-10(2)8-12(14(17)18)15-13(16)9-19-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)(H,17,18)