[(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate

C202H270N10O46S8 — CID 162183097

About [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate

[(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate (PubChem CID 162183097) has the molecular formula C202H270N10O46S8 and a molecular weight of 3830.94 g/mol. Its IUPAC name is [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate.

Molecular Properties

• Compound Name: [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate
• PubChem CID: 162183097
• Molecular Formula: C202H270N10O46S8
• Molecular Weight: 3830.94 g/mol
• Exact Mass: 3827.69
• IUPAC Name: [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate
• SMILES: CC(C)CN(C[C@@H](O)C(CC(=O)O[C@@H]1CC2CO[C@@H]3OCCC1[C@H]23)Cc1ccccc1)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1.CC(C)CN(C[C@@H](O)C(CC(=O)O[C@H]1CC2CO[C@H]3OCCC1[C@@H]23)Cc1ccccc1)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@@H]2CC3CO[C@@H]4CCCC2[C@H]34)Cc2ccccc2)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@@H]2C[C@]3(OC)CO[C@@H]4OCCC2[C@@H]43)Cc2ccccc2)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@H]2CC3CO[C@H]4CCCC2[C@@H]34)Cc2ccccc2)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@H]2C[C@@]3(OC)CO[C@H]4OCCC2[C@H]43)Cc2ccccc2)cc1
• InChI: InChI=1S/2C35H45N3O7S2.2C33H45NO9S.2C33H45NO7S/c2*1-21(2)18-38(47(41,42)26-10-11-28-31(17-26)46-35(37-28)36-25-8-9-25)19-29(39)23(14-22-6-4-3-5-7-22)16-32(40)45-30-15-24-20-44-34-33(24)27(30)12-13-43-34;2*1-22(2)19-34(44(37,38)26-12-10-25(39-3)11-13-26)20-28(35)24(16-23-8-6-5-7-9-23)17-30(36)43-29-18-33(40-4)21-42-32-31(33)27(29)14-15-41-32;2*1-22(2)19-34(42(37,38)27-14-12-26(39-3)13-15-27)20-29(35)24(16-23-8-5-4-6-9-23)18-32(36)41-31-17-25-21-40-30-11-7-10-28(31)33(25)30/h2*3-7,10-11,17,21,23-25,27,29-30,33-34,39H,8-9,12-16,18-20H2,1-2H3,(H,36,37);2*5-13,22,24,27-29,31-32,35H,14-21H2,1-4H3;2*4-6,8-9,12-15,22,24-25,28-31,33,35H,7,10-11,16-21H2,1-3H3/t23?,24?,27?,29-,30+,33-,34-;23?,24?,27?,29-,30-,33+,34+;24?,27?,28-,29+,31-,32-,33-;24?,27?,28-,29-,31+,32+,33+;24?,25?,28?,29-,30+,31+,33-;24?,25?,28?,29-,30-,31-,33+/m111111/s1
• InChIKey: ZPHNZSSQPCZPII-NUGMGPFLSA-N
• XLogP: 26.86
• TPSA: 700.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 52
• Rotatable Bonds: 82
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3830.94
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate?

The IUPAC name of [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate (CID 162183097) is [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate.

What is the SMILES notation for [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate?

The canonical SMILES for [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate is CC(C)CN(C[C@@H](O)C(CC(=O)O[C@@H]1CC2CO[C@@H]3OCCC1[C@H]23)Cc1ccccc1)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1.CC(C)CN(C[C@@H](O)C(CC(=O)O[C@H]1CC2CO[C@H]3OCCC1[C@@H]23)Cc1ccccc1)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@@H]2CC3CO[C@@H]4CCCC2[C@H]34)Cc2ccccc2)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@@H]2C[C@]3(OC)CO[C@@H]4OCCC2[C@@H]43)Cc2ccccc2)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@H]2CC3CO[C@H]4CCCC2[C@@H]34)Cc2ccccc2)cc1.COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(CC(=O)O[C@H]2C[C@@]3(OC)CO[C@H]4OCCC2[C@H]43)Cc2ccccc2)cc1.

What is the InChIKey of [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate?

The InChIKey is ZPHNZSSQPCZPII-NUGMGPFLSA-N. The full InChI is InChI=1S/2C35H45N3O7S2.2C33H45NO9S.2C33H45NO7S/c2*1-21(2)18-38(47(41,42)26-10-11-28-31(17-26)46-35(37-28)36-25-8-9-25)19-29(39)23(14-22-6-4-3-5-7-22)16-32(40)45-30-15-24-20-44-34-33(24)27(30)12-13-43-34;2*1-22(2)19-34(44(37,38)26-12-10-25(39-3)11-13-26)20-28(35)24(16-23-8-6-5-7-9-23)17-30(36)43-29-18-33(40-4)21-42-32-31(33)27(29)14-15-41-32;2*1-22(2)19-34(42(37,38)27-14-12-26(39-3)13-15-27)20-29(35)24(16-23-8-5-4-6-9-23)18-32(36)41-31-17-25-21-40-30-11-7-10-28(31)33(25)30/h2*3-7,10-11,17,21,23-25,27,29-30,33-34,39H,8-9,12-16,18-20H2,1-2H3,(H,36,37);2*5-13,22,24,27-29,31-32,35H,14-21H2,1-4H3;2*4-6,8-9,12-15,22,24-25,28-31,33,35H,7,10-11,16-21H2,1-3H3/t23?,24?,27?,29-,30+,33-,34-;23?,24?,27?,29-,30-,33+,34+;24?,27?,28-,29+,31-,32-,33-;24?,27?,28-,29-,31+,32+,33+;24?,25?,28?,29-,30+,31+,33-;24?,25?,28?,29-,30-,31-,33+/m111111/s1.

What are the key properties of [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate?

[(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate has a molecular weight of 3830.94 g/mol, XLogP of 26.86, 82 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,6S,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-5-[[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R,4S,6S,11S)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,4R,6R,11R)-4-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1S,6S,11R)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R,6R,11S)-2-oxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate is sourced from PubChem (CID 162183097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).