tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione

C139H186Cl2F6N26O24 — CID 161161331

About tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione

tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione (PubChem CID 161161331) has the molecular formula C139H186Cl2F6N26O24 and a molecular weight of 2790.07 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
• PubChem CID: 161161331
• Molecular Formula: C139H186Cl2F6N26O24
• Molecular Weight: 2790.07 g/mol
• Exact Mass: 2787.34
• IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)Nc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)Nc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)N(C)C(=O)OC(C)(C)C.ClCCl.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C=Nc1ccc(N=C=O)cc1
• InChI: InChI=1S/C68H98N12O12.C58H82N12O8.C8H4N2O2.C4F6O2.CH2Cl2/c1-39(77(15)63(89)91-67(9,10)11)55(81)75-53(65(3,4)5)59(85)79-37-45(35-51(79)57(83)73-49-29-21-25-41-23-17-19-27-47(41)49)71-61(87)69-43-31-33-44(34-32-43)70-62(88)72-46-36-52(58(84)74-50-30-22-26-42-24-18-20-28-48(42)50)80(38-46)60(86)54(66(6,7)8)76-56(82)40(2)78(16)64(90)92-68(12,13)14;1-33(59-9)49(71)67-47(57(3,4)5)53(75)69-31-39(29-45(69)51(73)65-43-23-15-19-35-17-11-13-21-41(35)43)63-55(77)61-37-25-27-38(28-26-37)62-56(78)64-40-30-46(52(74)66-44-24-16-20-36-18-12-14-22-42(36)44)70(32-40)54(76)48(58(6,7)8)68-50(72)34(2)60-10;11-5-9-7-1-2-8(4-3-7)10-6-12;5-3(6,7)1(11)2(12)4(8,9)10;2-1-3/h17-20,23-24,27-28,31-34,39-40,45-46,49-54H,21-22,25-26,29-30,35-38H2,1-16H3,(H,73,83)(H,74,84)(H,75,81)(H,76,82)(H2,69,71,87)(H2,70,72,88);11-14,17-18,21-22,25-28,33-34,39-40,43-48,59-60H,15-16,19-20,23-24,29-32H2,1-10H3,(H,65,73)(H,66,74)(H,67,71)(H,68,72)(H2,61,63,77)(H2,62,64,78);1-4H;;1H2/t39-,40-,45-,46-,49+,50+,51-,52?,53+,54+;33-,34-,39-,40-,43+,44+,45-,46?,47+,48+;;;/m00.../s1
• InChIKey: UPYQHLYGBMGQMI-DJGPGWOXSA-N
• XLogP: 16.65
• TPSA: 654.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2790.07
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?

The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione (CID 161161331) is tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione.

What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?

The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione is CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)Nc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C.C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)Nc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C)N(C)C(=O)OC(C)(C)C.ClCCl.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C=Nc1ccc(N=C=O)cc1.

What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?

The InChIKey is UPYQHLYGBMGQMI-DJGPGWOXSA-N. The full InChI is InChI=1S/C68H98N12O12.C58H82N12O8.C8H4N2O2.C4F6O2.CH2Cl2/c1-39(77(15)63(89)91-67(9,10)11)55(81)75-53(65(3,4)5)59(85)79-37-45(35-51(79)57(83)73-49-29-21-25-41-23-17-19-27-47(41)49)71-61(87)69-43-31-33-44(34-32-43)70-62(88)72-46-36-52(58(84)74-50-30-22-26-42-24-18-20-28-48(42)50)80(38-46)60(86)54(66(6,7)8)76-56(82)40(2)78(16)64(90)92-68(12,13)14;1-33(59-9)49(71)67-47(57(3,4)5)53(75)69-31-39(29-45(69)51(73)65-43-23-15-19-35-17-11-13-21-41(35)43)63-55(77)61-37-25-27-38(28-26-37)62-56(78)64-40-30-46(52(74)66-44-24-16-20-36-18-12-14-22-42(36)44)70(32-40)54(76)48(58(6,7)8)68-50(72)34(2)60-10;11-5-9-7-1-2-8(4-3-7)10-6-12;5-3(6,7)1(11)2(12)4(8,9)10;2-1-3/h17-20,23-24,27-28,31-34,39-40,45-46,49-54H,21-22,25-26,29-30,35-38H2,1-16H3,(H,73,83)(H,74,84)(H,75,81)(H,76,82)(H2,69,71,87)(H2,70,72,88);11-14,17-18,21-22,25-28,33-34,39-40,43-48,59-60H,15-16,19-20,23-24,29-32H2,1-10H3,(H,65,73)(H,66,74)(H,67,71)(H,68,72)(H2,61,63,77)(H2,62,64,78);1-4H;;1H2/t39-,40-,45-,46-,49+,50+,51-,52?,53+,54+;33-,34-,39-,40-,43+,44+,45-,46?,47+,48+;;;/m00.../s1.

What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione?

tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione has a molecular weight of 2790.07 g/mol, XLogP of 16.65, 35 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4S)-4-[[4-[[(3S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dichloromethane;1,4-diisocyanatobenzene;(4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]carbamoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione is sourced from PubChem (CID 161161331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).