[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

C291H413BrN18O49Si11 — CID 165073979

About [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

[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 (PubChem CID 165073979) has the molecular formula C291H413BrN18O49Si11 and a molecular weight of 5336.43 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 165073979
• Molecular Formula: C291H413BrN18O49Si11
• Molecular Weight: 5336.43 g/mol
• Exact Mass: 5330.70
• IUPAC Name: [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
• SMILES: C=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1C.C=CCOC(=O)N1c2cc(OCCCBr)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1C.C=CCOC(=O)N1c2cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1C.C=CCOC(=O)N1c2cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1O.C=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc1C(=O)N1C=C(c2ccc(C)cc2)C[C@H]1CO.C=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc1C(=O)N1C=C(c2ccc(C)cc2)C[C@H]1CO[Si](C)(C)C(C)(C)C.COc1cc(C(=O)N2C=C(C)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C.COc1cc(C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1O[Si](C(C)C)(C(C)C)C(C)C.COc1cc(C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C39H60N2O6Si2.C35H54N2O6Si2.C35H56N2O4Si2.C34H46N2O5Si.C33H44N2O6Si.C33H46N2O6Si.C29H50N2O6Si2.C28H31BrN2O5.C25H26N2O5/c1-15-20-45-38(43)40-34-23-36(47-49(26(2)3,27(4)5)28(6)7)35(44-12)22-33(34)37(42)41-24-31(30-18-16-29(8)17-19-30)21-32(41)25-46-48(13,14)39(9,10)11;1-23(2)45(24(3)4,25(5)6)43-33-20-31(37(39)40)30(19-32(33)41-11)34(38)36-21-28(27-16-14-26(7)15-17-27)18-29(36)22-42-44(12,13)35(8,9)10;1-23(2)43(24(3)4,25(5)6)41-33-20-31(36)30(19-32(33)39-11)34(38)37-21-28(27-16-14-26(7)15-17-27)18-29(37)22-40-42(12,13)35(8,9)10;1-11-16-40-34(38)36-25(9)29-17-27(26-14-12-24(8)13-15-26)20-35(29)33(37)28-18-31(39-10)32(19-30(28)36)41-42(21(2)3,22(4)5)23(6)7;1-10-15-40-33(38)35-27-18-30(41-42(20(2)3,21(4)5)22(6)7)29(39-9)17-26(27)31(36)34-19-25(16-28(34)32(35)37)24-13-11-23(8)12-14-24;1-10-15-40-33(38)34-29-18-31(41-42(21(2)3,22(4)5)23(6)7)30(39-9)17-28(29)32(37)35-19-26(16-27(35)20-36)25-13-11-24(8)12-14-25;1-19(2)39(20(3)4,21(5)6)37-27-16-25(31(33)34)24(15-26(27)35-11)28(32)30-17-22(7)14-23(30)18-36-38(12,13)29(8,9)10;1-5-12-36-28(33)31-19(3)23-14-21(20-9-7-18(2)8-10-20)17-30(23)27(32)22-15-25(34-4)26(16-24(22)31)35-13-6-11-29;1-5-10-32-25(30)27-16(3)20-11-18(17-8-6-15(2)7-9-17)14-26(20)24(29)19-12-23(31-4)22(28)13-21(19)27/h15-19,22-24,26-28,32H,1,20-21,25H2,2-14H3,(H,40,43);14-17,19-21,23-25,29H,18,22H2,1-13H3;14-17,19-21,23-25,29H,18,22,36H2,1-13H3;11-15,18-23,25,29H,1,16-17H2,2-10H3;10-14,17-22,28,32,37H,1,15-16H2,2-9H3;10-14,17-19,21-23,27,36H,1,15-16,20H2,2-9H3,(H,34,38);15-17,19-21,23H,14,18H2,1-13H3;5,7-10,15-17,19,23H,1,6,11-14H2,2-4H3;5-9,12-14,16,20,28H,1,10-11H2,2-4H3/t32-;2*29-;25?,29-;28-,32?;27-;23-;19?,23-;16?,20-/m000000000/s1
• InChIKey: TZPRGZMMSLYXID-KFSJYRDKSA-N
• XLogP: 71.64
• TPSA: 744.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 90
• Heavy Atoms: 370
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5336.43
LogP ≤ 5	71.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is C=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1C.C=CCOC(=O)N1c2cc(OCCCBr)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1C.C=CCOC(=O)N1c2cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1C.C=CCOC(=O)N1c2cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc2C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2C1O.C=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc1C(=O)N1C=C(c2ccc(C)cc2)C[C@H]1CO.C=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(OC)cc1C(=O)N1C=C(c2ccc(C)cc2)C[C@H]1CO[Si](C)(C)C(C)(C)C.COc1cc(C(=O)N2C=C(C)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C.COc1cc(C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1O[Si](C(C)C)(C(C)C)C(C)C.COc1cc(C(=O)N2C=C(c3ccc(C)cc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [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?

The InChIKey is TZPRGZMMSLYXID-KFSJYRDKSA-N. The full InChI is InChI=1S/C39H60N2O6Si2.C35H54N2O6Si2.C35H56N2O4Si2.C34H46N2O5Si.C33H44N2O6Si.C33H46N2O6Si.C29H50N2O6Si2.C28H31BrN2O5.C25H26N2O5/c1-15-20-45-38(43)40-34-23-36(47-49(26(2)3,27(4)5)28(6)7)35(44-12)22-33(34)37(42)41-24-31(30-18-16-29(8)17-19-30)21-32(41)25-46-48(13,14)39(9,10)11;1-23(2)45(24(3)4,25(5)6)43-33-20-31(37(39)40)30(19-32(33)41-11)34(38)36-21-28(27-16-14-26(7)15-17-27)18-29(36)22-42-44(12,13)35(8,9)10;1-23(2)43(24(3)4,25(5)6)41-33-20-31(36)30(19-32(33)39-11)34(38)37-21-28(27-16-14-26(7)15-17-27)18-29(37)22-40-42(12,13)35(8,9)10;1-11-16-40-34(38)36-25(9)29-17-27(26-14-12-24(8)13-15-26)20-35(29)33(37)28-18-31(39-10)32(19-30(28)36)41-42(21(2)3,22(4)5)23(6)7;1-10-15-40-33(38)35-27-18-30(41-42(20(2)3,21(4)5)22(6)7)29(39-9)17-26(27)31(36)34-19-25(16-28(34)32(35)37)24-13-11-23(8)12-14-24;1-10-15-40-33(38)34-29-18-31(41-42(21(2)3,22(4)5)23(6)7)30(39-9)17-28(29)32(37)35-19-26(16-27(35)20-36)25-13-11-24(8)12-14-25;1-19(2)39(20(3)4,21(5)6)37-27-16-25(31(33)34)24(15-26(27)35-11)28(32)30-17-22(7)14-23(30)18-36-38(12,13)29(8,9)10;1-5-12-36-28(33)31-19(3)23-14-21(20-9-7-18(2)8-10-20)17-30(23)27(32)22-15-25(34-4)26(16-24(22)31)35-13-6-11-29;1-5-10-32-25(30)27-16(3)20-11-18(17-8-6-15(2)7-9-17)14-26(20)24(29)19-12-23(31-4)22(28)13-21(19)27/h15-19,22-24,26-28,32H,1,20-21,25H2,2-14H3,(H,40,43);14-17,19-21,23-25,29H,18,22H2,1-13H3;14-17,19-21,23-25,29H,18,22,36H2,1-13H3;11-15,18-23,25,29H,1,16-17H2,2-10H3;10-14,17-22,28,32,37H,1,15-16H2,2-9H3;10-14,17-19,21-23,27,36H,1,15-16,20H2,2-9H3,(H,34,38);15-17,19-21,23H,14,18H2,1-13H3;5,7-10,15-17,19,23H,1,6,11-14H2,2-4H3;5-9,12-14,16,20,28H,1,10-11H2,2-4H3/t32-;2*29-;25?,29-;28-,32?;27-;23-;19?,23-;16?,20-/m000000000/s1.

What are the key properties of [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?

[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 has a molecular weight of 5336.43 g/mol, XLogP of 71.64, 90 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 165073979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).