[4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

C172H225IN14O33Si3 — CID 158907384

About [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

[4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate (PubChem CID 158907384) has the molecular formula C172H225IN14O33Si3 and a molecular weight of 3227.92 g/mol. Its IUPAC name is [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate.

Molecular Properties

• Compound Name: [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
• PubChem CID: 158907384
• Molecular Formula: C172H225IN14O33Si3
• Molecular Weight: 3227.92 g/mol
• Exact Mass: 3225.47
• IUPAC Name: [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
• SMILES: C=CCOC(=O)C(=O)[C@@H](NC(=O)C(C)NCc1ccc(COC(=O)N2c3cc(O)c(C)cc3C(=O)N3C=C(C)C[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)cc1)C(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3C=C(C)C[C@H]3[C@H](C)N4C(=O)CCc3ccc(CC)cc3)c(C)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3C=C(C)C[C@H]3[C@H](O)N4C(=O)CCc3ccc(CC)cc3)c(C)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O.C=CCOC(=O)N1c2cc(OCCCCI)c(C)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C55H72N4O9Si.C48H56N4O10.C41H56N4O9Si.C28H41IN2O5Si/c1-13-24-67-54(63)59-45-31-47(37(5)29-41(45)51(61)57-34-36(4)28-46(57)53(59)68-69(11,12)55(7,8)9)65-25-16-15-17-26-66-49-32-44-42(30-48(49)64-10)52(62)56-33-35(3)27-43(56)38(6)58(44)50(60)23-22-40-20-18-39(14-2)19-21-40;1-7-18-62-48(58)52-37-25-40(31(5)23-34(37)44(54)50-28-30(4)22-39(50)47(52)57)60-19-10-9-11-20-61-42-26-36-35(24-41(42)59-6)45(55)49-27-29(3)21-38(49)46(56)51(36)43(53)17-16-33-14-12-32(8-2)13-15-33;1-12-17-52-39(50)35(47)34(24(2)3)43-36(48)27(6)42-21-28-13-15-29(16-14-28)23-53-40(51)45-31-20-33(46)26(5)19-30(31)37(49)44-22-25(4)18-32(44)38(45)54-55(10,11)41(7,8)9;1-9-13-35-27(33)31-22-17-24(34-14-11-10-12-29)20(3)16-21(22)25(32)30-18-19(2)15-23(30)26(31)36-37(7,8)28(4,5)6/h13,18-21,29-34,38,43,46,53H,1,14-17,22-28H2,2-12H3;7,12-15,23-28,38-39,46-47,56-57H,1,8-11,16-22H2,2-6H3;12-16,19-20,22,24,27,32,34,38,42,46H,1,17-18,21,23H2,2-11H3,(H,43,48);9,16-18,23,26H,1,10-15H2,2-8H3/t38-,43-,46-,53-;38-,39-,46-,47-;27?,32-,34-,38-;23-,26-/m0000/s1
• InChIKey: JGFFRKGXAPTFKE-PQUBVODHSA-N
• XLogP: 31.92
• TPSA: 518.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 55
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3227.92
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

The IUPAC name of [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate (CID 158907384) is [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate.

What is the SMILES notation for [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

The canonical SMILES for [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate is C=CCOC(=O)C(=O)[C@@H](NC(=O)C(C)NCc1ccc(COC(=O)N2c3cc(O)c(C)cc3C(=O)N3C=C(C)C[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)cc1)C(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3C=C(C)C[C@H]3[C@H](C)N4C(=O)CCc3ccc(CC)cc3)c(C)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.C=CCOC(=O)N1c2cc(OCCCCCOc3cc4c(cc3OC)C(=O)N3C=C(C)C[C@H]3[C@H](O)N4C(=O)CCc3ccc(CC)cc3)c(C)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O.C=CCOC(=O)N1c2cc(OCCCCI)c(C)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

The InChIKey is JGFFRKGXAPTFKE-PQUBVODHSA-N. The full InChI is InChI=1S/C55H72N4O9Si.C48H56N4O10.C41H56N4O9Si.C28H41IN2O5Si/c1-13-24-67-54(63)59-45-31-47(37(5)29-41(45)51(61)57-34-36(4)28-46(57)53(59)68-69(11,12)55(7,8)9)65-25-16-15-17-26-66-49-32-44-42(30-48(49)64-10)52(62)56-33-35(3)27-43(56)38(6)58(44)50(60)23-22-40-20-18-39(14-2)19-21-40;1-7-18-62-48(58)52-37-25-40(31(5)23-34(37)44(54)50-28-30(4)22-39(50)47(52)57)60-19-10-9-11-20-61-42-26-36-35(24-41(42)59-6)45(55)49-27-29(3)21-38(49)46(56)51(36)43(53)17-16-33-14-12-32(8-2)13-15-33;1-12-17-52-39(50)35(47)34(24(2)3)43-36(48)27(6)42-21-28-13-15-29(16-14-28)23-53-40(51)45-31-20-33(46)26(5)19-30(31)37(49)44-22-25(4)18-32(44)38(45)54-55(10,11)41(7,8)9;1-9-13-35-27(33)31-22-17-24(34-14-11-10-12-29)20(3)16-21(22)25(32)30-18-19(2)15-23(30)26(31)36-37(7,8)28(4,5)6/h13,18-21,29-34,38,43,46,53H,1,14-17,22-28H2,2-12H3;7,12-15,23-28,38-39,46-47,56-57H,1,8-11,16-22H2,2-6H3;12-16,19-20,22,24,27,32,34,38,42,46H,1,17-18,21,23H2,2-11H3,(H,43,48);9,16-18,23,26H,1,10-15H2,2-8H3/t38-,43-,46-,53-;38-,39-,46-,47-;27?,32-,34-,38-;23-,26-/m0000/s1.

What are the key properties of [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate?

[4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate has a molecular weight of 3227.92 g/mol, XLogP of 31.92, 55 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[1-[[(3S)-4-methyl-1,2-dioxo-1-prop-2-enoxypentan-3-yl]amino]-1-oxopropan-2-yl]amino]methyl]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-3-[5-[[(6S,6aS)-5-[3-(4-ethylphenyl)propanoyl]-2-methoxy-6,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-[tert-butyl(dimethyl)silyl]oxy-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-(4-iodobutoxy)-2,8-dimethyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate is sourced from PubChem (CID 158907384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).