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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-2-ylcarbonylamino)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-2-carbonylamino)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-[[oxo(2-pyridinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-phenyl-4-(pyridine-2-carbonylamino)benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenyl-4-picolinamido-benzoyl)amino]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=CC=N2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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