2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid

C144H220N30O63P6S9 — CID 158466585

About 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid

2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid (PubChem CID 158466585) has the molecular formula C144H220N30O63P6S9 and a molecular weight of 3853.94 g/mol. Its IUPAC name is 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid.

Molecular Properties

• Compound Name: 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid
• PubChem CID: 158466585
• Molecular Formula: C144H220N30O63P6S9
• Molecular Weight: 3853.94 g/mol
• Exact Mass: 3851.08
• IUPAC Name: 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid
• SMILES: Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCNC(=O)c3cc4c(c(S(=O)(=O)O)c3)CN(C(=O)CCCCCNC(=O)c3cc(OCCCCc5cn(CCCNC(=O)c6cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c6)nn5)c(CCCCC(=O)C5CCN(c6nc(N7CCC(NC(=O)CCCCCNC(=O)CCCCC8SC[C@@H]9NC(=O)N[C@H]89)CC7)nc(N7CCC(NC(=O)CCCCCNC(=O)CCCCC8SC[C@H]9NC(=O)N[C@@H]89)CC7)n6)CC5)c(OCCCCc5cn(CCCNC(=O)c6cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c6)nn5)c3)CC4)O2)c(=O)[nH]1
• InChI: InChI=1S/C144H220N30O63P6S9/c145-139-159-133-130(138(186)160-139)152-95-174(133)127-88-111(176)118(232-127)92-231-239(191,192)234-241(195,196)236-243(199,200)237-242(197,198)235-240(193,194)233-238(189,190)230-73-21-2-1-17-52-148-134(182)98-80-97-45-60-171(91-107(97)121(87-98)252(219,220)221)126(181)42-8-5-20-53-149-135(183)99-81-112(222-65-22-15-32-104-89-172(166-164-104)56-24-54-150-136(184)100-83-114(224-67-26-74-246(201,202)203)131(228-71-30-78-250(213,214)215)115(84-100)225-68-27-75-247(204,205)206)106(113(82-99)223-66-23-16-33-105-90-173(167-165-105)57-25-55-151-137(185)101-85-116(226-69-28-76-248(207,208)209)132(229-72-31-79-251(216,217)218)117(86-101)227-70-29-77-249(210,211)212)34-9-10-35-110(175)96-43-58-168(59-44-96)140-161-141(169-61-46-102(47-62-169)153-124(179)40-6-3-18-50-146-122(177)38-13-11-36-119-128-108(93-244-119)155-143(187)157-128)163-142(162-140)170-63-48-103(49-64-170)154-125(180)41-7-4-19-51-147-123(178)39-14-12-37-120-129-109(94-245-120)156-144(188)158-129/h80-87,89-90,95-96,102-103,108-109,111,118-120,127-129,176H,1-79,88,91-94H2,(H,146,177)(H,147,178)(H,148,182)(H,149,183)(H,150,184)(H,151,185)(H,153,179)(H,154,180)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H2,155,157,187)(H2,156,158,188)(H,201,202,203)(H,204,205,206)(H,207,208,209)(H,210,211,212)(H,213,214,215)(H,216,217,218)(H,219,220,221)(H3,145,159,160,186)/t108-,109+,111-,118-,119?,120?,127-,128-,129+/m1/s1
• InChIKey: HFVDJBAYSPAXBJ-GVQBBMAISA-N
• XLogP: 9.11
• TPSA: 1324.14 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 68
• Rotatable Bonds: 116
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3853.94
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'biotin_analogue', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid?

The IUPAC name of 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid (CID 158466585) is 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid.

What is the SMILES notation for 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid?

The canonical SMILES for 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid is Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCNC(=O)c3cc4c(c(S(=O)(=O)O)c3)CN(C(=O)CCCCCNC(=O)c3cc(OCCCCc5cn(CCCNC(=O)c6cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c6)nn5)c(CCCCC(=O)C5CCN(c6nc(N7CCC(NC(=O)CCCCCNC(=O)CCCCC8SC[C@@H]9NC(=O)N[C@H]89)CC7)nc(N7CCC(NC(=O)CCCCCNC(=O)CCCCC8SC[C@H]9NC(=O)N[C@@H]89)CC7)n6)CC5)c(OCCCCc5cn(CCCNC(=O)c6cc(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c(OCCCS(=O)(=O)O)c6)nn5)c3)CC4)O2)c(=O)[nH]1.

What is the InChIKey of 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid?

The InChIKey is HFVDJBAYSPAXBJ-GVQBBMAISA-N. The full InChI is InChI=1S/C144H220N30O63P6S9/c145-139-159-133-130(138(186)160-139)152-95-174(133)127-88-111(176)118(232-127)92-231-239(191,192)234-241(195,196)236-243(199,200)237-242(197,198)235-240(193,194)233-238(189,190)230-73-21-2-1-17-52-148-134(182)98-80-97-45-60-171(91-107(97)121(87-98)252(219,220)221)126(181)42-8-5-20-53-149-135(183)99-81-112(222-65-22-15-32-104-89-172(166-164-104)56-24-54-150-136(184)100-83-114(224-67-26-74-246(201,202)203)131(228-71-30-78-250(213,214)215)115(84-100)225-68-27-75-247(204,205)206)106(113(82-99)223-66-23-16-33-105-90-173(167-165-105)57-25-55-151-137(185)101-85-116(226-69-28-76-248(207,208)209)132(229-72-31-79-251(216,217)218)117(86-101)227-70-29-77-249(210,211)212)34-9-10-35-110(175)96-43-58-168(59-44-96)140-161-141(169-61-46-102(47-62-169)153-124(179)40-6-3-18-50-146-122(177)38-13-11-36-119-128-108(93-244-119)155-143(187)157-128)163-142(162-140)170-63-48-103(49-64-170)154-125(180)41-7-4-19-51-147-123(178)39-14-12-37-120-129-109(94-245-120)156-144(188)158-129/h80-87,89-90,95-96,102-103,108-109,111,118-120,127-129,176H,1-79,88,91-94H2,(H,146,177)(H,147,178)(H,148,182)(H,149,183)(H,150,184)(H,151,185)(H,153,179)(H,154,180)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H2,155,157,187)(H2,156,158,188)(H,201,202,203)(H,204,205,206)(H,207,208,209)(H,210,211,212)(H,213,214,215)(H,216,217,218)(H,219,220,221)(H3,145,159,160,186)/t108-,109+,111-,118-,119?,120?,127-,128-,129+/m1/s1.

What are the key properties of 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid?

2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid has a molecular weight of 3853.94 g/mol, XLogP of 9.11, 116 rotatable bonds, 28 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[4-[5-[1-[6-[4-[6-[5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-4-[4-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]-5-oxopentyl]-3,5-bis[4-[1-[3-[[3,4,5-tris(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]benzoyl]amino]hexanoyl]-6-[6-[[[[[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyhexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-8-sulfonic acid is sourced from PubChem (CID 158466585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).