(2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbonylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-2-carbonylamino)benzoyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-[[oxo(2-pyridinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-2-carbonylamino)benzoyl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[(2-phenyl-4-picolinamido-benzoyl)amino]butyric acid Formula: C24H23N3O4S MolecularWeight: 449.52212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O4S/c1-32-14-12-21(24(30)31)27-22(28)18-11-10-17(15-19(18)16-7-3-2-4-8-16)26-23(29)20-9-5-6-13-25-20/h2-11,13,15,21H,12,14H2,1H3,(H,26,29)(H,27,28)(H,30,31)/t21-/m0/s1