methyl 2-[[4-(2-azanylpyridin-3-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-(2-azanylpyridin-3-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(2-amino-3-pyridyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(2-amino-3-pyridinyl)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-aminopyridin-3-yl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(2-amino-3-pyridyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-30-24(29)21(12-14-31-2)27-23(28)19-11-10-17(18-9-6-13-26-22(18)25)15-20(19)16-7-4-3-5-8-16/h3-11,13,15,21H,12,14H2,1-2H3,(H2,25,26)(H,27,28)