Chemical Component Summary |
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Name | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE |
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Identifiers | 4-[(1S,3aS,4R,5S,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-(phenylmethyl)-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[4,3-a]pyrrolizin-4-yl]benzenecarboximidamide |
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Formula | C31 H32 N4 O3 |
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Molecular Weight | 508.611 |
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Type | NON-POLYMER |
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Isomeric SMILES | [H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)\N |
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InChI | InChI=1S/C31H32N4O3/c32-30(33)22-11-9-21(10-12-22)29-28-27(23-7-4-14-34(23)29)24(15-19-5-2-1-3-6-19)35(31(28)36)17-20-8-13-25-26(16-20)38-18-37-25/h1-3,5-6,8-13,16,23-24,27-29H,4,7,14-15,17-18H2,(H3,32,33)/t23-,24?,27+,28-,29-/m0/s1 |
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InChIKey | APELQVQIJUTSME-UDOPOUDQSA-N |
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