[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

C178H235F3N22O44S8 — CID 161155974

About [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate (PubChem CID 161155974) has the molecular formula C178H235F3N22O44S8 and a molecular weight of 3700.48 g/mol. Its IUPAC name is [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
• PubChem CID: 161155974
• Molecular Formula: C178H235F3N22O44S8
• Molecular Weight: 3700.48 g/mol
• Exact Mass: 3697.45
• IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
• SMILES: CC(C)CN(C[C@@H](N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.CC(C)CN(C[C@@H](N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCCO2.CCCCN(C[C@@H](N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](N)[C@H](Cc2ccc(OCc3csc(C)n3)cc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](N)[C@H](Cc2ccccc2)NC(=O)OCc2cncnc2)cc1.Cc1nc(COc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@H]43)[C@H](N)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1
• InChI: InChI=1S/C33H42N4O9S2.C33H44N4O8S2.C29H39N3O8S.C28H36F3N3O7S.C28H39N3O7S.C27H35N5O5S/c1-20(2)14-37(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-27(34)28(36-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)35-23;1-21(2)16-37(47(39,40)27-11-9-25(41-4)10-12-27)17-29(34)30(36-33(38)45-31-19-44-32-28(31)13-14-42-32)15-23-5-7-26(8-6-23)43-18-24-20-46-22(3)35-24;1-19(2)16-32(41(34,35)21-8-9-25-26(15-21)37-13-12-36-25)17-23(30)24(14-20-6-4-3-5-7-20)31-29(33)40-27-18-39-28-22(27)10-11-38-28;1-18(2)15-34(42(36,37)21-10-8-20(9-11-21)41-28(29,30)31)16-23(32)24(14-19-6-4-3-5-7-19)33-27(35)40-25-17-39-26-22(25)12-13-38-26;1-3-4-15-31(39(33,34)22-12-10-21(35-2)11-13-22)18-24(29)25(17-20-8-6-5-7-9-20)30-28(32)38-26-19-37-27-23(26)14-16-36-27;1-20(2)16-32(38(34,35)24-11-9-23(36-3)10-12-24)17-25(28)26(13-21-7-5-4-6-8-21)31-27(33)37-18-22-14-29-19-30-15-22/h4-9,13,18,20,26-28,31-32H,10-12,14-17,19,34H2,1-3H3,(H,36,38);5-12,20-21,28-32H,13-19,34H2,1-4H3,(H,36,38);3-9,15,19,22-24,27-28H,10-14,16-18,30H2,1-2H3,(H,31,33);3-11,18,22-26H,12-17,32H2,1-2H3,(H,33,35);5-13,23-27H,3-4,14-19,29H2,1-2H3,(H,30,32);4-12,14-15,19-20,25-26H,13,16-18,28H2,1-3H3,(H,31,33)/t26-,27+,28-,31-,32+;28-,29+,30-,31-,32+;22-,23+,24-,27-,28+;22-,23+,24-,25-,26+;23-,24+,25-,26-,27+;25-,26+/m000001/s1
• InChIKey: UPHIZFCTRDXTHO-BLORJDEQSA-N
• XLogP: 20.04
• TPSA: 846.54 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 56
• Rotatable Bonds: 78
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3700.48
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate?

The IUPAC name of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate (CID 161155974) is [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate.

What is the SMILES notation for [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate?

The canonical SMILES for [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate is CC(C)CN(C[C@@H](N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.CC(C)CN(C[C@@H](N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCCO2.CCCCN(C[C@@H](N)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](N)[C@H](Cc2ccc(OCc3csc(C)n3)cc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](N)[C@H](Cc2ccccc2)NC(=O)OCc2cncnc2)cc1.Cc1nc(COc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@H]43)[C@H](N)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1.

What is the InChIKey of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate?

The InChIKey is UPHIZFCTRDXTHO-BLORJDEQSA-N. The full InChI is InChI=1S/C33H42N4O9S2.C33H44N4O8S2.C29H39N3O8S.C28H36F3N3O7S.C28H39N3O7S.C27H35N5O5S/c1-20(2)14-37(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-27(34)28(36-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)35-23;1-21(2)16-37(47(39,40)27-11-9-25(41-4)10-12-27)17-29(34)30(36-33(38)45-31-19-44-32-28(31)13-14-42-32)15-23-5-7-26(8-6-23)43-18-24-20-46-22(3)35-24;1-19(2)16-32(41(34,35)21-8-9-25-26(15-21)37-13-12-36-25)17-23(30)24(14-20-6-4-3-5-7-20)31-29(33)40-27-18-39-28-22(27)10-11-38-28;1-18(2)15-34(42(36,37)21-10-8-20(9-11-21)41-28(29,30)31)16-23(32)24(14-19-6-4-3-5-7-19)33-27(35)40-25-17-39-26-22(25)12-13-38-26;1-3-4-15-31(39(33,34)22-12-10-21(35-2)11-13-22)18-24(29)25(17-20-8-6-5-7-9-20)30-28(32)38-26-19-37-27-23(26)14-16-36-27;1-20(2)16-32(38(34,35)24-11-9-23(36-3)10-12-24)17-25(28)26(13-21-7-5-4-6-8-21)31-27(33)37-18-22-14-29-19-30-15-22/h4-9,13,18,20,26-28,31-32H,10-12,14-17,19,34H2,1-3H3,(H,36,38);5-12,20-21,28-32H,13-19,34H2,1-4H3,(H,36,38);3-9,15,19,22-24,27-28H,10-14,16-18,30H2,1-2H3,(H,31,33);3-11,18,22-26H,12-17,32H2,1-2H3,(H,33,35);5-13,23-27H,3-4,14-19,29H2,1-2H3,(H,30,32);4-12,14-15,19-20,25-26H,13,16-18,28H2,1-3H3,(H,31,33)/t26-,27+,28-,31-,32+;28-,29+,30-,31-,32+;22-,23+,24-,27-,28+;22-,23+,24-,25-,26+;23-,24+,25-,26-,27+;25-,26+/m000001/s1.

What are the key properties of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate?

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate has a molecular weight of 3700.48 g/mol, XLogP of 20.04, 78 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate;[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-amino-4-[2-methylpropyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate;pyrimidin-5-ylmethyl N-[(2S,3R)-3-amino-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 161155974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).