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

Systemtic Name: methyl 2-[methyl-[2-phenyl-4-[(pyridin-3-ylamino)methyl]phenyl]carbonyl-amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[methyl-[2-phenyl-4-[(3-pyridylamino)methyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[methyl-[oxo-[2-phenyl-4-[(3-pyridinylamino)methyl]phenyl]methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-phenyl-4-[(pyridin-3-ylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[methyl-[2-phenyl-4-[(3-pyridylamino)methyl]benzoyl]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)CNC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C(CCSC)C(=O)OC)C(=O)C1=C(C=C(C=C1)CNC2=CN=CC=C2)C3=CC=CC=C3

InChI

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