(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C160H179BrCl5MnN9O26 — CID 159260141

About (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 159260141) has the molecular formula C160H179BrCl5MnN9O26 and a molecular weight of 2956.34 g/mol. Its IUPAC name is (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 159260141
• Molecular Formula: C160H179BrCl5MnN9O26
• Molecular Weight: 2956.34 g/mol
• Exact Mass: 2951.00
• IUPAC Name: (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: C.C.CC(=O)O.CC(C)(C)OC(=O)N1C(C2=CC3=C(C2)c2cc4c(cc2CC3)-c2ccc(Cl)cc2OC4)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1C(C2=Nc3ccc4cc5c(cc4c3C2)COc2cc(Cl)ccc2-5)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1[C@H](C(=O)OC2CCc3cc4c(cc3C2=O)COc2cc(Cl)ccc2-4)C[C@@H]2CCC[C@@H]21.COC(=O)N[C@H](C(=O)N1[C@H](C2=Nc3ccc4cc5c(cc4c3C2)COc2cc(Cl)ccc2-5)C[C@@H]2CCC[C@@H]21)C(C)C.N.O=C1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1OC3.O=[Mn]=O
• InChI: InChI=1S/C33H34ClN3O4.C32H34ClNO3.C31H31ClN2O3.C30H32ClNO6.C17H12BrClO2.C13H21NO4.C2H4O2.2CH4.Mn.H3N.2O/c1-17(2)31(36-33(39)40-3)32(38)37-28-6-4-5-19(28)13-29(37)27-15-25-23-12-20-16-41-30-14-21(34)8-9-22(30)24(20)11-18(23)7-10-26(25)35-27;1-32(2,3)37-31(35)34-28-6-4-5-20(28)15-29(34)21-11-18-7-8-19-12-27-22(14-26(19)25(18)13-21)17-36-30-16-23(33)9-10-24(27)30;1-31(2,3)37-30(35)34-27-6-4-5-18(27)13-28(34)26-15-24-22-12-19-16-36-29-14-20(32)8-9-21(29)23(19)11-17(22)7-10-25(24)33-26;1-30(2,3)38-29(35)32-23-6-4-5-17(23)13-24(32)28(34)37-25-10-7-16-11-21-18(12-22(16)27(25)33)15-36-26-14-19(31)8-9-20(21)26;18-15-4-1-9-5-13-10(6-14(9)17(15)20)8-21-16-7-11(19)2-3-12(13)16;1-13(2,3)18-12(17)14-9-6-4-5-8(9)7-10(14)11(15)16;1-2(3)4;;;;;;/h7-12,14,17,19,28-29,31H,4-6,13,15-16H2,1-3H3,(H,36,39);9-12,14,16,20,28-29H,4-8,13,15,17H2,1-3H3;7-12,14,18,27-28H,4-6,13,15-16H2,1-3H3;8-9,11-12,14,17,23-25H,4-7,10,13,15H2,1-3H3;2-3,5-7,15H,1,4,8H2;8-10H,4-7H2,1-3H3,(H,15,16);1H3,(H,3,4);2*1H4;;1H3;;/t19-,28-,29-,31-;20-,28-,29?;18-,27-,28?;17-,23-,24-,25?;;8-,9-,10-;;;;;;;/m0000.0......./s1
• InChIKey: MDZHOLIELXSTMY-XWFSPNRXSA-N
• XLogP: 37.24
• TPSA: 451.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 9
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2956.34
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 159260141) is (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is C.C.CC(=O)O.CC(C)(C)OC(=O)N1C(C2=CC3=C(C2)c2cc4c(cc2CC3)-c2ccc(Cl)cc2OC4)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1C(C2=Nc3ccc4cc5c(cc4c3C2)COc2cc(Cl)ccc2-5)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21.CC(C)(C)OC(=O)N1[C@H](C(=O)OC2CCc3cc4c(cc3C2=O)COc2cc(Cl)ccc2-4)C[C@@H]2CCC[C@@H]21.COC(=O)N[C@H](C(=O)N1[C@H](C2=Nc3ccc4cc5c(cc4c3C2)COc2cc(Cl)ccc2-5)C[C@@H]2CCC[C@@H]21)C(C)C.N.O=C1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1OC3.O=[Mn]=O.

What is the InChIKey of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is MDZHOLIELXSTMY-XWFSPNRXSA-N. The full InChI is InChI=1S/C33H34ClN3O4.C32H34ClNO3.C31H31ClN2O3.C30H32ClNO6.C17H12BrClO2.C13H21NO4.C2H4O2.2CH4.Mn.H3N.2O/c1-17(2)31(36-33(39)40-3)32(38)37-28-6-4-5-19(28)13-29(37)27-15-25-23-12-20-16-41-30-14-21(34)8-9-22(30)24(20)11-18(23)7-10-26(25)35-27;1-32(2,3)37-31(35)34-28-6-4-5-20(28)15-29(34)21-11-18-7-8-19-12-27-22(14-26(19)25(18)13-21)17-36-30-16-23(33)9-10-24(27)30;1-31(2,3)37-30(35)34-27-6-4-5-18(27)13-28(34)26-15-24-22-12-19-16-36-29-14-20(32)8-9-21(29)23(19)11-17(22)7-10-25(24)33-26;1-30(2,3)38-29(35)32-23-6-4-5-17(23)13-24(32)28(34)37-25-10-7-16-11-21-18(12-22(16)27(25)33)15-36-26-14-19(31)8-9-20(21)26;18-15-4-1-9-5-13-10(6-14(9)17(15)20)8-21-16-7-11(19)2-3-12(13)16;1-13(2,3)18-12(17)14-9-6-4-5-8(9)7-10(14)11(15)16;1-2(3)4;;;;;;/h7-12,14,17,19,28-29,31H,4-6,13,15-16H2,1-3H3,(H,36,39);9-12,14,16,20,28-29H,4-8,13,15,17H2,1-3H3;7-12,14,18,27-28H,4-6,13,15-16H2,1-3H3;8-9,11-12,14,17,23-25H,4-7,10,13,15H2,1-3H3;2-3,5-7,15H,1,4,8H2;8-10H,4-7H2,1-3H3,(H,15,16);1H3,(H,3,4);2*1H4;;1H3;;/t19-,28-,29-,31-;20-,28-,29?;18-,27-,28?;17-,23-,24-,25?;;8-,9-,10-;;;;;;;/m0000.0......./s1.

What are the key properties of (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 2956.34 g/mol, XLogP of 37.24, 9 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;acetic acid;azane;9-bromo-3-chloro-6,9,10,11-tetrahydronaphtho[7,6-c]chromen-8-one;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-(17-chloro-20-oxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;1-O-tert-butyl 2-O-(3-chloro-8-oxo-6,9,10,11-tetrahydronaphtho[3,2-c]chromen-9-yl) (2S,3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1,2-dicarboxylate;dioxomanganese;methane;methyl N-[(2S)-1-[(2S,3aS,6aS)-2-(17-chloro-20-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 159260141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).