[(2R)-3-(4-methyl-2-oxidanylidene-3H-1,3-benzoxazol-6-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-(4-methyl-2-oxidanylidene-3H-1,3-benzoxazol-6-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-[(4-methyl-2-oxo-3H-1,3-benzoxazol-6-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-(4-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-1-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-methyl-2-oxo-3H-1,3-benzoxazol-6-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-1-[(2-keto-4-methyl-3H-1,3-benzoxazol-6-yl)methyl]-2-[4-(1-mesyl-4-piperidyl)piperidino]ethyl] ester Formula: C37H48N6O8S MolecularWeight: 736.87742

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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)OC(=O)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)OC(=O)N2

InChI

InChI=1S/C37H48N6O8S/c1-24-21-25(22-31-33(24)39-36(46)50-31)23-32(34(44)40-14-7-26(8-15-40)27-9-18-42(19-10-27)52(2,48)49)51-37(47)41-16-12-29(13-17-41)43-20-11-28-5-3-4-6-30(28)38-35(43)45/h3-6,21-22,26-27,29,32H,7-20,23H2,1-2H3,(H,38,45)(H,39,46)/t32-/m1/s1