methyl 2-[2,3-dihydro-1H-isoindol-5-ylcarbonyl-(pyridin-3-ylsulfonylamino)amino]-2-methyl-4-(pyridin-2-ylamino)butanoate

Systemtic Name: methyl 2-[2,3-dihydro-1H-isoindol-5-ylcarbonyl-(pyridin-3-ylsulfonylamino)amino]-2-methyl-4-(pyridin-2-ylamino)butanoate Openeye Name: methyl 2-[isoindoline-5-carbonyl-(3-pyridylsulfonylamino)amino]-2-methyl-4-(2-pyridylamino)butanoate CAS Name: 2-[[2,3-dihydro-1H-isoindol-5-yl(oxo)methyl]-(3-pyridinylsulfonylamino)amino]-2-methyl-4-(2-pyridinylamino)butanoic acid methyl ester IUPAC Name: methyl 2-[2,3-dihydro-1H-isoindole-5-carbonyl-(pyridin-3-ylsulfonylamino)amino]-2-methyl-4-(pyridin-2-ylamino)butanoate Traditional Name: 2-[isoindoline-5-carbonyl-(3-pyridylsulfonylamino)amino]-2-methyl-4-(2-pyridylamino)butyric acid methyl ester Formula: C25H28N6O5S MolecularWeight: 524.59202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=CC=N1)(C(=O)OC)N(C(=O)C2=CC3=C(CNC3)C=C2)NS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(CCNC1=CC=CC=N1)(C(=O)OC)N(C(=O)C2=CC3=C(CNC3)C=C2)NS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H28N6O5S/c1-25(24(33)36-2,10-13-29-22-7-3-4-12-28-22)31(30-37(34,35)21-6-5-11-26-17-21)23(32)18-8-9-19-15-27-16-20(19)14-18/h3-9,11-12,14,17,27,30H,10,13,15-16H2,1-2H3,(H,28,29)