1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide

C246H367Cl2F3N20O40 — CID 157472338

About 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide

1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide (PubChem CID 157472338) has the molecular formula C246H367Cl2F3N20O40 and a molecular weight of 4372.64 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide.

Molecular Properties

• Compound Name: 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide
• PubChem CID: 157472338
• Molecular Formula: C246H367Cl2F3N20O40
• Molecular Weight: 4372.64 g/mol
• Exact Mass: 4368.66
• IUPAC Name: 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide
• SMILES: C=CCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)CCCC(=O)CCc1ccccc1.C=CCCC(=O)C(=O)C(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C2(C)C)CC(F)(F)F.C=CCCC(=O)C(=O)C(CCC=C)CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)CC)C1CCCCC1)C2(C)C.C=CCCC(=O)C(=O)C(CCC=C)CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(Cl)Cl.C=CCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC13CC4CC(CC(C4)C1)C3)C1CCCCC1)C2(C)C)C(=O)C(=O)CCCC(=O)OC(C)(C)C.C=CCCCC(=O)C(=O)C(CCC=C)CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC13CC4CC(CC(C4)C1)C3)C(C)(C)C)C2(C)C.CC(C)(C)[C@H](NC(=O)NC1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C
• InChI: InChI=1S/C43H65N3O7.C40H56N2O7.C38H57N3O5.C33H51N3O5.C31H44Cl2N2O6.C31H46F3N3O5.C30H48N4O5/c1-7-8-13-30(38(50)32(47)16-12-17-34(49)53-41(2,3)4)21-33(48)37-35-31(42(35,5)6)25-46(37)39(51)36(29-14-10-9-11-15-29)44-40(52)45-43-22-26-18-27(23-43)20-28(19-26)24-43;1-7-15-28(36(46)31(44)21-14-20-29(43)23-22-26-16-10-8-11-17-26)24-32(45)35-33-30(40(33,5)6)25-42(35)37(47)34(27-18-12-9-13-19-27)41-38(48)49-39(2,3)4;1-8-10-12-14-28(42)32(44)26(13-11-9-2)18-29(43)31-30-27(37(30,6)7)22-41(31)34(45)33(36(3,4)5)39-35(46)40-38-19-23-15-24(20-38)17-25(16-23)21-38;1-7-10-15-23(30(39)25(37)18-11-8-2)19-26(38)29-27-24(33(27,5)6)20-36(29)31(40)28(22-16-13-12-14-17-22)35-32(41)34-21(4)9-3;1-6-8-13-20(27(38)22(36)16-9-7-2)17-23(37)26-24-21(31(24,32)33)18-35(26)28(39)25(19-14-11-10-12-15-19)34-29(40)41-30(3,4)5;1-7-8-14-21(38)26(40)19(16-31(32,33)34)15-22(39)25-23-20(30(23,5)6)17-37(25)27(41)24(18-12-10-9-11-13-18)35-28(42)36-29(2,3)4;1-29(2,3)25(33-28(39)32-19-12-7-6-8-13-19)27(38)34-16-20-22(30(20,4)5)23(34)21(35)15-18(24(36)26(31)37)14-17-10-9-11-17/h7,26-31,35-37H,1,8-25H2,2-6H3,(H2,44,45,52);7-8,10-11,16-17,27-28,30,33-35H,1,9,12-15,18-25H2,2-6H3,(H,41,48);8-9,23-27,30-31,33H,1-2,10-22H2,3-7H3,(H2,39,40,46);7-8,21-24,27-29H,1-2,9-20H2,3-6H3,(H2,34,35,41);6-7,19-21,24-26H,1-2,8-18H2,3-5H3,(H,34,40);7,18-20,23-25H,1,8-17H2,2-6H3,(H2,35,36,42);17-20,22-23,25H,6-16H2,1-5H3,(H2,31,37)(H2,32,33,39)/t26?,27?,28?,30?,31-,35-,36-,37+,43?;28?,30-,33-,34-,35+;23?,24?,25?,26?,27-,30-,31+,33+,38?;21?,23?,24-,27-,28-,29+;20?,21-,24-,25-,26+;19?,20-,23-,24-,25+;18?,20-,22-,23+,25+/m0000000/s1
• InChIKey: BVEOTITYGCEILQ-IQKOCQMTSA-N
• XLogP: 39.05
• TPSA: 852.34 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 40
• Rotatable Bonds: 100
• Heavy Atoms: 311
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4372.64
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide?

The IUPAC name of 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide (CID 157472338) is 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide.

What is the SMILES notation for 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide?

The canonical SMILES for 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide is C=CCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)CCCC(=O)CCc1ccccc1.C=CCCC(=O)C(=O)C(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C2(C)C)CC(F)(F)F.C=CCCC(=O)C(=O)C(CCC=C)CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)CC)C1CCCCC1)C2(C)C.C=CCCC(=O)C(=O)C(CCC=C)CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(Cl)Cl.C=CCCC(CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC13CC4CC(CC(C4)C1)C3)C1CCCCC1)C2(C)C)C(=O)C(=O)CCCC(=O)OC(C)(C)C.C=CCCCC(=O)C(=O)C(CCC=C)CC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC13CC4CC(CC(C4)C1)C3)C(C)(C)C)C2(C)C.CC(C)(C)[C@H](NC(=O)NC1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)CC(CC1CCC1)C(=O)C(N)=O)C2(C)C.

What is the InChIKey of 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide?

The InChIKey is BVEOTITYGCEILQ-IQKOCQMTSA-N. The full InChI is InChI=1S/C43H65N3O7.C40H56N2O7.C38H57N3O5.C33H51N3O5.C31H44Cl2N2O6.C31H46F3N3O5.C30H48N4O5/c1-7-8-13-30(38(50)32(47)16-12-17-34(49)53-41(2,3)4)21-33(48)37-35-31(42(35,5)6)25-46(37)39(51)36(29-14-10-9-11-15-29)44-40(52)45-43-22-26-18-27(23-43)20-28(19-26)24-43;1-7-15-28(36(46)31(44)21-14-20-29(43)23-22-26-16-10-8-11-17-26)24-32(45)35-33-30(40(33,5)6)25-42(35)37(47)34(27-18-12-9-13-19-27)41-38(48)49-39(2,3)4;1-8-10-12-14-28(42)32(44)26(13-11-9-2)18-29(43)31-30-27(37(30,6)7)22-41(31)34(45)33(36(3,4)5)39-35(46)40-38-19-23-15-24(20-38)17-25(16-23)21-38;1-7-10-15-23(30(39)25(37)18-11-8-2)19-26(38)29-27-24(33(27,5)6)20-36(29)31(40)28(22-16-13-12-14-17-22)35-32(41)34-21(4)9-3;1-6-8-13-20(27(38)22(36)16-9-7-2)17-23(37)26-24-21(31(24,32)33)18-35(26)28(39)25(19-14-11-10-12-15-19)34-29(40)41-30(3,4)5;1-7-8-14-21(38)26(40)19(16-31(32,33)34)15-22(39)25-23-20(30(23,5)6)17-37(25)27(41)24(18-12-10-9-11-13-18)35-28(42)36-29(2,3)4;1-29(2,3)25(33-28(39)32-19-12-7-6-8-13-19)27(38)34-16-20-22(30(20,4)5)23(34)21(35)15-18(24(36)26(31)37)14-17-10-9-11-17/h7,26-31,35-37H,1,8-25H2,2-6H3,(H2,44,45,52);7-8,10-11,16-17,27-28,30,33-35H,1,9,12-15,18-25H2,2-6H3,(H,41,48);8-9,23-27,30-31,33H,1-2,10-22H2,3-7H3,(H2,39,40,46);7-8,21-24,27-29H,1-2,9-20H2,3-6H3,(H2,34,35,41);6-7,19-21,24-26H,1-2,8-18H2,3-5H3,(H,34,40);7,18-20,23-25H,1,8-17H2,2-6H3,(H2,35,36,42);17-20,22-23,25H,6-16H2,1-5H3,(H2,31,37)(H2,32,33,39)/t26?,27?,28?,30?,31-,35-,36-,37+,43?;28?,30-,33-,34-,35+;23?,24?,25?,26?,27-,30-,31+,33+,38?;21?,23?,24-,27-,28-,29+;20?,21-,24-,25-,26+;19?,20-,23-,24-,25+;18?,20-,22-,23+,25+/m0000000/s1.

What are the key properties of 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide?

1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide has a molecular weight of 4372.64 g/mol, XLogP of 39.05, 100 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyl)-3-[(2S)-1-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxodec-9-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea;1-butan-2-yl-3-[(1S)-2-[(1R,2S,5S)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]urea;tert-butyl 7-[2-[(1R,2S,5S)-3-[(2S)-2-(1-adamantylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,6-dioxoundec-10-enoate;tert-butyl N-[(1S)-2-[(1S,2S,5R)-2-(3-but-3-enyl-4,5-dioxonon-8-enoyl)-6,6-dichloro-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]carbamate;tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-6,6-dimethyl-2-(4,5,9-trioxo-11-phenyl-3-prop-2-enylundecanoyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate;1-tert-butyl-3-[(1S)-1-cyclohexyl-2-[(1R,2S,5S)-2-[4,5-dioxo-3-(2,2,2-trifluoroethyl)non-8-enoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]urea;3-(cyclobutylmethyl)-5-[(1R,2S,5S)-3-[(2S)-2-(cyclohexylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2,5-dioxopentanamide is sourced from PubChem (CID 157472338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).