methyl 2-[[4-[azanyl(pyridin-3-yl)methyl]-2-phenyl-phenyl]carbonyl-methyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[azanyl(pyridin-3-yl)methyl]-2-phenyl-phenyl]carbonyl-methyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[amino(3-pyridyl)methyl]-2-phenyl-benzoyl]-methyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[amino(3-pyridinyl)methyl]-2-phenylphenyl]-oxomethyl]-methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[amino(pyridin-3-yl)methyl]-2-phenylbenzoyl]-methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[amino(3-pyridyl)methyl]-2-phenyl-benzoyl]-methyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCSC)C(=O)OC)C(=O)C1=C(C=C(C=C1)C(C2=CN=CC=C2)N)C3=CC=CC=C3

Isomeric SMILES

CN(C(CCSC)C(=O)OC)C(=O)C1=C(C=C(C=C1)C(C2=CN=CC=C2)N)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S/c1-29(23(13-15-33-3)26(31)32-2)25(30)21-12-11-19(24(27)20-10-7-14-28-17-20)16-22(21)18-8-5-4-6-9-18/h4-12,14,16-17,23-24H,13,15,27H2,1-3H3