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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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