methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-4-ylcarbonylamino)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-4-ylcarbonylamino)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-4-carbonylamino)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-[[oxo(pyridin-4-yl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-4-carbonylamino)benzoyl]amino]butanoate Traditional Name: (2S)-2-[(4-isonicotinamido-2-phenyl-benzoyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=NC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-32-25(31)22(12-15-33-2)28-24(30)20-9-8-19(16-21(20)17-6-4-3-5-7-17)27-23(29)18-10-13-26-14-11-18/h3-11,13-14,16,22H,12,15H2,1-2H3,(H,27,29)(H,28,30)/t22-/m0/s1