tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)

C201H247F2N21O24S2Zn4+10 — CID 161497257

About tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)

tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide) (PubChem CID 161497257) has the molecular formula C201H247F2N21O24S2Zn4+10 and a molecular weight of 3703.01 g/mol. Its IUPAC name is tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide).

Molecular Properties

• Compound Name: tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)
• PubChem CID: 161497257
• Molecular Formula: C201H247F2N21O24S2Zn4+10
• Molecular Weight: 3703.01 g/mol
• Exact Mass: 3694.53
• IUPAC Name: tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)
• SMILES: CCCCC[N+]1=C(/C=C/C2=C(c3ccc(CCC(=O)N[C@@H](CCCCNC(=O)C(C)[18F])C(=O)CCCCCOc4cc(CC(Cc5ccccn5)Cc5ccccn5)cc(CN(Cc5ccccn5)Cc5ccccn5)c4)cc3)/C(=C/C=C3/N(CCCC)c4ccc(OC)cc4C3(C)C)CCC2)C(C)(C)c2cc(OC)ccc21.CCCCC[N+]1=C(/C=C/C2=C(c3ccc(CCC(=O)N[C@@H](CCCCNC(=O)C(C)[18F])C(=O)C[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCCCCOc4cc(CN(Cc5ccccn5)Cc5ccccn5)cc(CN(Cc5ccccn5)Cc5ccccn5)c4)cc3)/C(=C/C=C3/N(CCCC)c4ccc(OC)cc4C3(C)C)CCC2)C(C)(C)c2cc(OC)ccc21.O=C=O.O=S(=O)=O.O=S(=O)=O.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/C103H127FN12O10.C97H118FN9O6.CO2.2O3S.4Zn/c1-11-13-26-57-116-92-46-44-86(125-10)65-89(92)103(7,8)95(116)48-42-78-30-28-29-77(41-47-94-102(5,6)88-64-85(124-9)43-45-91(88)115(94)56-14-12-2)98(78)79-39-36-74(37-40-79)38-49-96(118)112-90(35-19-24-54-109-99(121)72(3)104)93(117)62-80(63-97(119)120)101(123)111-73(4)100(122)110-55-25-27-58-126-87-60-75(66-113(68-81-31-15-20-50-105-81)69-82-32-16-21-51-106-82)59-76(61-87)67-114(70-83-33-17-22-52-107-83)71-84-34-18-23-53-108-84;1-10-12-26-57-107-89-47-45-83(112-9)66-86(89)97(6,7)92(107)49-43-76-30-28-29-75(42-48-91-96(4,5)85-65-82(111-8)44-46-88(85)106(91)56-13-11-2)94(76)77-40-37-71(38-41-77)39-50-93(109)104-87(35-20-25-55-103-95(110)70(3)98)90(108)36-15-14-27-58-113-84-63-72(59-73(61-78-31-16-21-51-99-78)62-79-32-17-22-52-100-79)60-74(64-84)67-105(68-80-33-18-23-53-101-80)69-81-34-19-24-54-102-81;2-1-3;2*1-4(2)3;;;;/h15-18,20-23,31-34,36-37,39-48,50-53,59-61,64-65,72-73,80,90H,11-14,19,24-30,35,38,49,54-58,62-63,66-71H2,1-10H3,(H4-,109,110,111,112,118,119,120,121,122,123);16-19,21-24,31-34,37-38,40-49,51-54,60,63-66,70,73,87H,10-15,20,25-30,35-36,39,50,55-59,61-62,67-69H2,1-9H3,(H-,103,104,109,110);;;;;;;/q;;;;;4*+2/p+2/t72?,73-,80-,90-;70?,87-;;;;;;;/m00......./s1/i104-1;98-1
• InChIKey: WGJIKQAMFJOREN-XVNGRDSFSA-P
• XLogP: 34.42
• TPSA: 563.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 92
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3703.01
LogP ≤ 5	34.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)?

The IUPAC name of tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide) (CID 161497257) is tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide).

What is the SMILES notation for tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)?

The canonical SMILES for tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide) is CCCCC[N+]1=C(/C=C/C2=C(c3ccc(CCC(=O)N[C@@H](CCCCNC(=O)C(C)[18F])C(=O)CCCCCOc4cc(CC(Cc5ccccn5)Cc5ccccn5)cc(CN(Cc5ccccn5)Cc5ccccn5)c4)cc3)/C(=C/C=C3/N(CCCC)c4ccc(OC)cc4C3(C)C)CCC2)C(C)(C)c2cc(OC)ccc21.CCCCC[N+]1=C(/C=C/C2=C(c3ccc(CCC(=O)N[C@@H](CCCCNC(=O)C(C)[18F])C(=O)C[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)NCCCCOc4cc(CN(Cc5ccccn5)Cc5ccccn5)cc(CN(Cc5ccccn5)Cc5ccccn5)c4)cc3)/C(=C/C=C3/N(CCCC)c4ccc(OC)cc4C3(C)C)CCC2)C(C)(C)c2cc(OC)ccc21.O=C=O.O=S(=O)=O.O=S(=O)=O.[Zn+2].[Zn+2].[Zn+2].[Zn+2].

What is the InChIKey of tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)?

The InChIKey is WGJIKQAMFJOREN-XVNGRDSFSA-P. The full InChI is InChI=1S/C103H127FN12O10.C97H118FN9O6.CO2.2O3S.4Zn/c1-11-13-26-57-116-92-46-44-86(125-10)65-89(92)103(7,8)95(116)48-42-78-30-28-29-77(41-47-94-102(5,6)88-64-85(124-9)43-45-91(88)115(94)56-14-12-2)98(78)79-39-36-74(37-40-79)38-49-96(118)112-90(35-19-24-54-109-99(121)72(3)104)93(117)62-80(63-97(119)120)101(123)111-73(4)100(122)110-55-25-27-58-126-87-60-75(66-113(68-81-31-15-20-50-105-81)69-82-32-16-21-51-106-82)59-76(61-87)67-114(70-83-33-17-22-52-107-83)71-84-34-18-23-53-108-84;1-10-12-26-57-107-89-47-45-83(112-9)66-86(89)97(6,7)92(107)49-43-76-30-28-29-75(42-48-91-96(4,5)85-65-82(111-8)44-46-88(85)106(91)56-13-11-2)94(76)77-40-37-71(38-41-77)39-50-93(109)104-87(35-20-25-55-103-95(110)70(3)98)90(108)36-15-14-27-58-113-84-63-72(59-73(61-78-31-16-21-51-99-78)62-79-32-17-22-52-100-79)60-74(64-84)67-105(68-80-33-18-23-53-101-80)69-81-34-19-24-54-102-81;2-1-3;2*1-4(2)3;;;;/h15-18,20-23,31-34,36-37,39-48,50-53,59-61,64-65,72-73,80,90H,11-14,19,24-30,35,38,49,54-58,62-63,66-71H2,1-10H3,(H4-,109,110,111,112,118,119,120,121,122,123);16-19,21-24,31-34,37-38,40-49,51-54,60,63-66,70,73,87H,10-15,20,25-30,35-36,39,50,55-59,61-62,67-69H2,1-9H3,(H-,103,104,109,110);;;;;;;/q;;;;;4*+2/p+2/t72?,73-,80-,90-;70?,87-;;;;;;;/m00......./s1/i104-1;98-1;;;;;;;.

What are the key properties of tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide)?

tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide) has a molecular weight of 3703.01 g/mol, XLogP of 34.42, 92 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tetrazinc;(3S,6S)-3-[[(2S)-1-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-1-oxopropan-2-yl]carbamoyl]-6-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-10-(2-(18F)fluoropropanoylamino)-5-oxodecanoic acid;N-[(5S)-11-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-5-[3-pyridin-2-yl-2-(pyridin-2-ylmethyl)propyl]phenoxy]-5-[3-[4-[(6E)-6-[(2E)-2-(1-butyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]-2-[(E)-2-(5-methoxy-3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohexen-1-yl]phenyl]propanoylamino]-6-oxoundecyl]-2-(18F)fluoropropanamide;carbon dioxide;bis(sulfur trioxide) is sourced from PubChem (CID 161497257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).