[(2R)-3-(7-methyl-3H-benzimidazol-5-yl)-1-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-(7-methyl-3H-benzimidazol-5-yl)-1-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[(7-methyl-3H-benzimidazol-5-yl)methyl]-2-[4-(1-methylsulfonyl-4-piperidyl)-1-piperidyl]-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-(7-methyl-3H-benzimidazol-5-yl)-1-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(7-methyl-3H-benzimidazol-5-yl)-1-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-2-keto-2-[4-(1-mesyl-4-piperidyl)piperidino]-1-[(7-methyl-3H-benzimidazol-5-yl)methyl]ethyl] ester Formula: C37H49N7O6S MolecularWeight: 719.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C(=O)N3CCC(CC3)C4CCN(CC4)S(=O)(=O)C)OC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O)NC=N2

Isomeric SMILES

CC1=C2C(=CC(=C1)C[C@H](C(=O)N3CCC(CC3)C4CCN(CC4)S(=O)(=O)C)OC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O)NC=N2

InChI

InChI=1S/C37H49N7O6S/c1-25-21-26(22-32-34(25)39-24-38-32)23-33(35(45)41-14-7-27(8-15-41)28-9-18-43(19-10-28)51(2,48)49)50-37(47)42-16-12-30(13-17-42)44-20-11-29-5-3-4-6-31(29)40-36(44)46/h3-6,21-22,24,27-28,30,33H,7-20,23H2,1-2H3,(H,38,39)(H,40,46)/t33-/m1/s1