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

Systemtic Name: methyl 2-[[4-[3-(aminomethyl)pyridin-2-yl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[3-(aminomethyl)-2-pyridyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[3-(aminomethyl)-2-pyridinyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(aminomethyl)pyridin-2-yl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[3-(aminomethyl)-2-pyridyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C2=C(C=CC=N2)CN)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C2=C(C=CC=N2)CN)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-31-25(30)22(12-14-32-2)28-24(29)20-11-10-18(23-19(16-26)9-6-13-27-23)15-21(20)17-7-4-3-5-8-17/h3-11,13,15,22H,12,14,16,26H2,1-2H3,(H,28,29)