(6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate

C242H313BrN20O48Si3 — CID 163733520

IUPAC(6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate
SMILESC=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCBr)c(OC)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC5(CC5)C[C@H]3CC4)c(C)cc2C(=O)N2CC3(CC3)C[C@H]2C1O.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC5(CC5)C[C@H]3CC4)c(C)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.COC(=O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(C)c(C)cc1[N+](=O)[O-].COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1CC4(CC4)C[C@H]1C=N3)CC[C@@H]1CC3(CC3)CN1C2=O.Cc1cc(C(=O)N2CC3(CC3)C[C@H]2C=O)c([N+](=O)[O-])cc1C.Cc1cc(C(=O)N2CC3(CC3)C[C@H]2CO)c([N+](=O)[O-])cc1C.Cc1cc2c(cc1O)CC[C@@H]1CC3(CC3)CN1C2=O
InChIInChI=1S/C46H63N3O8Si.C40H49N3O8.C36H43N3O5.C30H45BrN2O6Si.C25H36N2O6Si.C17H20N2O5.C16H20N2O4.C16H18N2O4.C16H19NO2/c1-9-19-56-43(52)49-35-25-37(30(2)22-34(35)41(51)48-29-46(17-18-46)27-36(48)42(49)57-58(7,8)44(3,4)5)54-20-11-10-12-21-55-39-23-31-13-14-32-26-45(15-16-45)28-47(32)40(50)33(31)24-38(39)53-6;1-4-14-51-38(47)43-30-20-32(25(2)17-29(30)36(45)42-24-40(12-13-40)22-31(42)37(43)46)49-15-6-5-7-16-50-34-18-26-8-9-27-21-39(10-11-39)23-41(27)35(44)28(26)19-33(34)48-3;1-23-14-28-29(37-20-26-19-36(10-11-36)22-39(26)34(28)41)17-30(23)43-12-4-3-5-13-44-32-15-24-6-7-25-18-35(8-9-35)21-38(25)33(40)27(24)16-31(32)42-2;1-8-15-38-28(35)33-22-18-25(37-16-11-9-10-14-31)24(36-5)17-21(22)26(34)32-20-30(12-13-30)19-23(32)27(33)39-40(6,7)29(2,3)4;1-8-11-32-23(30)27-17-13-19(28)20(31-5)12-16(17)21(29)26-15-25(9-10-25)14-18(26)22(27)33-34(6,7)24(2,3)4;1-10-6-12(13(19(22)23)7-11(10)2)15(20)18-9-17(4-5-17)8-14(18)16(21)24-3;2*1-10-5-13(14(18(21)22)6-11(10)2)15(20)17-9-16(3-4-16)7-12(17)8-19;1-10-6-13-11(7-14(10)18)2-3-12-8-16(4-5-16)9-17(12)15(13)19/h9,22-25,32,36,42H,1,10-21,26-29H2,2-8H3;4,17-20,27,31,37,46H,1,5-16,21-24H2,2-3H3;14-17,20,25-26H,3-13,18-19,21-22H2,1-2H3;8,17-18,23,27H,1,9-16,19-20H2,2-7H3;8,12-13,18,22,28H,1,9-11,14-15H2,2-7H3;6-7,14H,4-5,8-9H2,1-3H3;5-6,12,19H,3-4,7-9H2,1-2H3;5-6,8,12H,3-4,7,9H2,1-2H3;6-7,12,18H,2-5,8-9H2,1H3/t32-,36+,42?;27-,31+,37?;25-,26+;23-,27?;18-,22?;14-;3*12-/m111000001/s1
InChIKeyLBQLHHJKLYRRPD-VXWHTJSGSA-N
MW4434.42 g/mol
LogP43.00
Rot. Bonds58

About (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate

(6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate (PubChem CID 163733520) has the molecular formula C242H313BrN20O48Si3 and a molecular weight of 4434.42 g/mol. Its IUPAC name is (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate.

Molecular Properties

Compound Name(6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate
PubChem CID163733520
Molecular FormulaC242H313BrN20O48Si3
Molecular Weight4434.42 g/mol
Exact Mass4430.12
IUPAC Name(6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate
SMILESC=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCBr)c(OC)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC5(CC5)C[C@H]3CC4)c(C)cc2C(=O)N2CC3(CC3)C[C@H]2C1O.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC5(CC5)C[C@H]3CC4)c(C)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.COC(=O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(C)c(C)cc1[N+](=O)[O-].COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1CC4(CC4)C[C@H]1C=N3)CC[C@@H]1CC3(CC3)CN1C2=O.Cc1cc(C(=O)N2CC3(CC3)C[C@H]2C=O)c([N+](=O)[O-])cc1C.Cc1cc(C(=O)N2CC3(CC3)C[C@H]2CO)c([N+](=O)[O-])cc1C.Cc1cc2c(cc1O)CC[C@@H]1CC3(CC3)CN1C2=O
InChIInChI=1S/C46H63N3O8Si.C40H49N3O8.C36H43N3O5.C30H45BrN2O6Si.C25H36N2O6Si.C17H20N2O5.C16H20N2O4.C16H18N2O4.C16H19NO2/c1-9-19-56-43(52)49-35-25-37(30(2)22-34(35)41(51)48-29-46(17-18-46)27-36(48)42(49)57-58(7,8)44(3,4)5)54-20-11-10-12-21-55-39-23-31-13-14-32-26-45(15-16-45)28-47(32)40(50)33(31)24-38(39)53-6;1-4-14-51-38(47)43-30-20-32(25(2)17-29(30)36(45)42-24-40(12-13-40)22-31(42)37(43)46)49-15-6-5-7-16-50-34-18-26-8-9-27-21-39(10-11-39)23-41(27)35(44)28(26)19-33(34)48-3;1-23-14-28-29(37-20-26-19-36(10-11-36)22-39(26)34(28)41)17-30(23)43-12-4-3-5-13-44-32-15-24-6-7-25-18-35(8-9-35)21-38(25)33(40)27(24)16-31(32)42-2;1-8-15-38-28(35)33-22-18-25(37-16-11-9-10-14-31)24(36-5)17-21(22)26(34)32-20-30(12-13-30)19-23(32)27(33)39-40(6,7)29(2,3)4;1-8-11-32-23(30)27-17-13-19(28)20(31-5)12-16(17)21(29)26-15-25(9-10-25)14-18(26)22(27)33-34(6,7)24(2,3)4;1-10-6-12(13(19(22)23)7-11(10)2)15(20)18-9-17(4-5-17)8-14(18)16(21)24-3;2*1-10-5-13(14(18(21)22)6-11(10)2)15(20)17-9-16(3-4-16)7-12(17)8-19;1-10-6-13-11(7-14(10)18)2-3-12-8-16(4-5-16)9-17(12)15(13)19/h9,22-25,32,36,42H,1,10-21,26-29H2,2-8H3;4,17-20,27,31,37,46H,1,5-16,21-24H2,2-3H3;14-17,20,25-26H,3-13,18-19,21-22H2,1-2H3;8,17-18,23,27H,1,9-16,19-20H2,2-7H3;8,12-13,18,22,28H,1,9-11,14-15H2,2-7H3;6-7,14H,4-5,8-9H2,1-3H3;5-6,12,19H,3-4,7-9H2,1-2H3;5-6,8,12H,3-4,7,9H2,1-2H3;6-7,12,18H,2-5,8-9H2,1H3/t32-,36+,42?;27-,31+,37?;25-,26+;23-,27?;18-,22?;14-;3*12-/m111000001/s1
InChIKeyLBQLHHJKLYRRPD-VXWHTJSGSA-N
XLogP43.00
TPSA766.40 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds58
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004434.42
LogP ≤ 543.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Analyze (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate with MolForge

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Related Compounds

(6aS)-3-[3-[[(6aR)-2-methoxy-8-(4-methylphenyl)-11-oxo-5,6,6a,7-tetrahydropyrrolo[1,2-b][2]benzazepin-3-yl]oxy]propoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;prop-2-enyl (6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methylphenyl)-11-oxo-5-prop-2-enoxycarbonyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methylphenyl)-11-oxo-5-prop-2-enoxycarbonyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(3-bromopropoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate
CID 163933865
(2-amino-4,5-dimethylphenyl)-[(2R)-2-ethylazetidin-1-yl]methanone;4,5-dimethyl-2-nitrobenzoic acid;(4,5-dimethyl-2-nitrophenyl)-[(2R)-2-ethylazetidin-1-yl]methanone;(6S)-12-methoxy-11-[[3-[[(6S)-12-methyl-2-oxo-3,8-diazatricyclo[7.4.0.03,6]trideca-1(9),7,10,12-tetraen-11-yl]oxymethyl]phenyl]methoxy]-3,8-diazatricyclo[7.4.0.03,6]trideca-1(13),7,9,11-tetraen-2-one;(6S)-12-methoxy-11-[5-[[(6S)-12-methyl-2-oxo-3,8-diazatricyclo[7.4.0.03,6]trideca-1(9),7,10,12-tetraen-11-yl]oxy]pentoxy]-3,8-diazatricyclo[7.4.0.03,6]trideca-1(13),7,9,11-tetraen-2-one;bis(prop-2-enyl (6S)-7-[tert-butyl(dimethyl)silyl]oxy-11,12-dimethyl-2-oxo-3,8-diazatricyclo[7.4.0.03,6]trideca-1(9),10,12-triene-8-carboxylate);prop-2-enyl (6S)-7-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-12-methyl-2-oxo-3,8-diazatricyclo[7.4.0.03,6]trideca-1(9),10,12-triene-8-carboxylate;prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]azetidine-1-carbonyl]-4,5-dimethylphenyl]carbamate;bis(prop-2-enyl (6S)-11-[[3-[[(6S)-7-[tert-butyl(dimethyl)silyl]oxy-12-methyl-2-oxo-8-prop-2-enoxycarbonyl-3,8-diazatricyclo[7.4.0.03,6]trideca-1(9),10,12-trien-11-yl]oxymethyl]phenyl]methoxy]-12-methoxy-7-methyl-2-oxo-3,8-diazatricyclo[7.4.0.03,6]trideca-1(13),9,11-triene-8-carboxylate);prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)azetidine-1-carbonyl]-4,5-dimethylphenyl]carbamate
CID 165045019
[4-[(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-oxobutyl]phenyl]methyl (6aS)-3-[5-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]pentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;[4-[(3S)-3-[[(2S)-5-[[7-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4,7-dioxoheptanoyl]amino]-4-oxo-2-propan-2-ylpentanoyl]amino]-2-oxobutyl]phenyl]methyl (6aS)-3-[5-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]pentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (12aS)-9-[5-[(6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxo-5-[[4-[(3S)-2-oxo-3-[[(2S)-4-oxo-2-propan-2-yl-4-prop-2-enoxybutanoyl]amino]butyl]phenyl]methoxycarbonyl]spiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-12-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepine-11-carboxylate;prop-2-enyl (12aS)-9-(5-bromopentoxy)-12-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepine-11-carboxylate;prop-2-enyl (12aS)-12-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-8-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepine-11-carboxylate
CID 165049786
(6aS)-3-(3-bromopropoxy)-2-methoxy-8-methyl-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-(3-bromopropoxy)-2-methoxy-8-(4-methylphenyl)-6a,7-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;(6aS)-3-(3-bromopropoxy)-2-methoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one;(6aR)-3-(3-bromopropoxy)-2-methoxy-8-(4-methylphenyl)-5,6,6a,7-tetrahydropyrrolo[1,2-b][2]benzazepin-11-one;[4-[(3S)-3-[[(2S)-2,3-dimethylbutanoyl]amino]-2-oxobutyl]phenyl]methyl (6aS)-3-[3-[[(6aS)-2-methoxy-8-(4-methylphenyl)-11-oxo-5-prop-2-enoxycarbonyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;bis(2-methoxyethyl(trimethyl)silane);prop-2-enyl (6aS)-3-(3-bromopropoxy)-2-methoxy-8-(4-methylphenyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl formate
CID 167585853
[4-[(3S)-3-[[(2S)-2,3-dimethylbutanoyl]amino]-2-oxobutyl]phenyl]methyl (6aS)-3-[3-[[(6aS)-2-methoxy-8-(3-methoxy-4-methylphenyl)-11-oxo-5-prop-2-enoxycarbonyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;[4-[(3S)-3-[[(2S)-2,3-dimethylbutanoyl]amino]-2-oxobutyl]phenyl]methyl (6aS)-3-[3-[[(6aS)-2-methoxy-8-(3-methoxy-4-methylphenyl)-11-oxo-5-prop-2-enoxycarbonyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;bis(prop-2-enyl formate)
CID 167592039
prop-2-enyl (6aS)-3-[5-[[(6aS)-8-(4-cyclobutylsulfanylphenyl)-2-methoxy-11-oxo-5-prop-2-enoxycarbonyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate
CID 176584643
(6aR)-3-[5-[[(6aR)-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepin-11-one;(6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one;tert-butyl (6aS)-3-[5-[[(6aS)-6-hydroxy-2-methoxy-8-methylidene-5-[(2-methylpropan-2-yl)oxycarbonyl]-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;tert-butyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-5-[5-[4-[(2R)-2-ethyl-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pentoxy]-4-methoxyphenyl]carbamate;tert-butyl N-[2-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-5-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pentoxy]-4-methoxyphenyl]carbamate;methane
CID 159310421
[2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methylphenyl)-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrol-1-yl]-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxyphenyl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methylphenyl)-2,3-dihydropyrrol-1-yl]-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxyphenyl]methanone;prop-2-enyl (6aS)-3-(3-bromopropoxy)-2-methoxy-6-methyl-8-(4-methylphenyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6aS)-3-hydroxy-2-methoxy-6-methyl-8-(4-methylphenyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6aS)-6-hydroxy-2-methoxy-8-(4-methylphenyl)-11-oxo-3-tri(propan-2-yl)silyloxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6aS)-2-methoxy-6-methyl-8-(4-methylphenyl)-11-oxo-3-tri(propan-2-yl)silyloxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methylphenyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-tri(propan-2-yl)silyloxyphenyl]carbamate;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)-4-(4-methylphenyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-tri(propan-2-yl)silyloxyphenyl]carbamate
CID 165073979
prop-2-enyl N-[5-[5-[[(6aR)-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepin-3-yl]oxy]pentoxy]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-4-methylphenyl]carbamate
CID 165099076
prop-2-enyl (6aS)-3-[5-[[(6aS)-2-methoxy-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
CID 171854065
prop-2-enyl (6S)-7-[tert-butyl(dimethyl)silyl]oxy-11,12-dimethyl-2-oxo-3,8-diazatricyclo[7.4.0.03,6]trideca-1(9),10,12-triene-8-carboxylate
CID 165045024
bis(carbon dioxide);[4-[5-[4-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;5-methoxy-4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-2-nitrobenzoic acid;methyl (6S)-5-[5-methoxy-4-[5-[2-methoxy-4-[(6R)-6-methyl-5-azaspiro[2.4]heptane-5-carbonyl]-5-nitrophenoxy]pentoxy]-2-nitrobenzoyl]-5-azaspiro[2.4]heptane-6-carboxylate
CID 165007051

Frequently Asked Questions

What is the IUPAC name of (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate?
The IUPAC name of (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate (CID 163733520) is (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate.
What is the SMILES notation for (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate?
The canonical SMILES for (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate is C=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCBr)c(OC)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC5(CC5)C[C@H]3CC4)c(C)cc2C(=O)N2CC3(CC3)C[C@H]2C1O.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3CC5(CC5)C[C@H]3CC4)c(C)cc2C(=O)N2CC3(CC3)C[C@H]2C1O[Si](C)(C)C(C)(C)C.COC(=O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(C)c(C)cc1[N+](=O)[O-].COc1cc2c(cc1OCCCCCOc1cc3c(cc1C)C(=O)N1CC4(CC4)C[C@H]1C=N3)CC[C@@H]1CC3(CC3)CN1C2=O.Cc1cc(C(=O)N2CC3(CC3)C[C@H]2C=O)c([N+](=O)[O-])cc1C.Cc1cc(C(=O)N2CC3(CC3)C[C@H]2CO)c([N+](=O)[O-])cc1C.Cc1cc2c(cc1O)CC[C@@H]1CC3(CC3)CN1C2=O.
What is the InChIKey of (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate?
The InChIKey is LBQLHHJKLYRRPD-VXWHTJSGSA-N. The full InChI is InChI=1S/C46H63N3O8Si.C40H49N3O8.C36H43N3O5.C30H45BrN2O6Si.C25H36N2O6Si.C17H20N2O5.C16H20N2O4.C16H18N2O4.C16H19NO2/c1-9-19-56-43(52)49-35-25-37(30(2)22-34(35)41(51)48-29-46(17-18-46)27-36(48)42(49)57-58(7,8)44(3,4)5)54-20-11-10-12-21-55-39-23-31-13-14-32-26-45(15-16-45)28-47(32)40(50)33(31)24-38(39)53-6;1-4-14-51-38(47)43-30-20-32(25(2)17-29(30)36(45)42-24-40(12-13-40)22-31(42)37(43)46)49-15-6-5-7-16-50-34-18-26-8-9-27-21-39(10-11-39)23-41(27)35(44)28(26)19-33(34)48-3;1-23-14-28-29(37-20-26-19-36(10-11-36)22-39(26)34(28)41)17-30(23)43-12-4-3-5-13-44-32-15-24-6-7-25-18-35(8-9-35)21-38(25)33(40)27(24)16-31(32)42-2;1-8-15-38-28(35)33-22-18-25(37-16-11-9-10-14-31)24(36-5)17-21(22)26(34)32-20-30(12-13-30)19-23(32)27(33)39-40(6,7)29(2,3)4;1-8-11-32-23(30)27-17-13-19(28)20(31-5)12-16(17)21(29)26-15-25(9-10-25)14-18(26)22(27)33-34(6,7)24(2,3)4;1-10-6-12(13(19(22)23)7-11(10)2)15(20)18-9-17(4-5-17)8-14(18)16(21)24-3;2*1-10-5-13(14(18(21)22)6-11(10)2)15(20)17-9-16(3-4-16)7-12(17)8-19;1-10-6-13-11(7-14(10)18)2-3-12-8-16(4-5-16)9-17(12)15(13)19/h9,22-25,32,36,42H,1,10-21,26-29H2,2-8H3;4,17-20,27,31,37,46H,1,5-16,21-24H2,2-3H3;14-17,20,25-26H,3-13,18-19,21-22H2,1-2H3;8,17-18,23,27H,1,9-16,19-20H2,2-7H3;8,12-13,18,22,28H,1,9-11,14-15H2,2-7H3;6-7,14H,4-5,8-9H2,1-3H3;5-6,12,19H,3-4,7-9H2,1-2H3;5-6,8,12H,3-4,7,9H2,1-2H3;6-7,12,18H,2-5,8-9H2,1H3/t32-,36+,42?;27-,31+,37?;25-,26+;23-,27?;18-,22?;14-;3*12-/m111000001/s1.
What are the key properties of (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate?
(6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate has a molecular weight of 4434.42 g/mol, XLogP of 43.00, 58 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-2-methylspiro[7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-11-one;(6aR)-3-hydroxy-2-methylspiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-11-one;(6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carbaldehyde;(4,5-dimethyl-2-nitrophenyl)-[(6S)-6-(hydroxymethyl)-5-azaspiro[2.4]heptan-5-yl]methanone;methyl (6S)-5-(4,5-dimethyl-2-nitrobenzoyl)-5-azaspiro[2.4]heptane-6-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-[5-[(6aR)-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydro-5H-pyrrolo[1,2-b][2]benzazepine-8,1'-cyclopropane]-3-yl]oxypentoxy]-6-hydroxy-2-methyl-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-3-(5-bromopentoxy)-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate;prop-2-enyl (6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-11-oxospiro[6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-8,1'-cyclopropane]-5-carboxylate is sourced from PubChem (CID 163733520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).