[(2R)-3-(4-azanyl-3,5-dimethyl-phenyl)-1-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-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-(4-azanyl-3,5-dimethyl-phenyl)-1-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-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-[(4-amino-3,5-dimethyl-phenyl)methyl]-2-[4-(1-methylsulfonyl-4-piperidyl)piperazin-1-yl]-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-(4-amino-3,5-dimethylphenyl)-1-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3,5-dimethylphenyl)-1-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-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)-1-(4-amino-3,5-dimethyl-benzyl)-2-keto-2-[4-(1-mesyl-4-piperidyl)piperazino]ethyl] ester Formula: C36H51N7O6S MolecularWeight: 709.89844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)CC(C(=O)N2CCN(CC2)C3CCN(CC3)S(=O)(=O)C)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C[C@H](C(=O)N2CCN(CC2)C3CCN(CC3)S(=O)(=O)C)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C36H51N7O6S/c1-25-22-27(23-26(2)33(25)37)24-32(34(44)40-20-18-39(19-21-40)29-11-15-42(16-12-29)50(3,47)48)49-36(46)41-13-9-30(10-14-41)43-17-8-28-6-4-5-7-31(28)38-35(43)45/h4-7,22-23,29-30,32H,8-21,24,37H2,1-3H3,(H,38,45)/t32-/m1/s1