8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid

C105H98N18O44P8 — CID 169408427

IUPAC8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid
SMILESCC[C@@H](N)C(=O)NCc1cccc2c(OCP(=O)(O)O)cc(C(=O)Nc3cccc4c(OCP(=O)(O)O)cc(C(=O)NCc5cccc6c(OCP(=O)(O)O)cc(C(=O)Nc7cccc8c(OCP(=O)(O)O)cc(C(=O)Nc9ccccc9O[C@H](C)C(=O)NCc9cccc%10c(OCP(=O)(O)O)cc(C(=O)Nc%11cccc%12c(OCP(=O)(O)O)cc(C(=O)NCc%13cccc%14c(OCP(=O)(O)O)cc(C(=O)Nc%15cccc%16c(OCP(=O)(O)O)cc(C(=O)O)nc%15%16)nc%13%14)nc%11%12)nc9%10)nc78)nc56)nc34)nc12
InChIInChI=1S/C105H98N18O44P8/c1-3-65(106)97(125)108-41-54-15-7-19-58-81(160-45-169(138,139)140)35-74(112-89(54)58)102(130)121-68-28-11-23-62-85(164-49-173(150,151)152)33-72(116-93(62)68)98(126)109-42-55-16-8-20-59-82(161-46-170(141,142)143)36-75(113-90(55)59)103(131)122-69-29-12-24-63-86(165-50-174(153,154)155)38-77(117-94(63)69)100(128)119-66-26-4-5-31-79(66)167-52(2)96(124)107-40-53-14-6-18-57-80(159-44-168(135,136)137)34-73(111-88(53)57)101(129)120-67-27-10-22-61-84(163-48-172(147,148)149)32-71(115-92(61)67)99(127)110-43-56-17-9-21-60-83(162-47-171(144,145)146)37-76(114-91(56)60)104(132)123-70-30-13-25-64-87(166-51-175(156,157)158)39-78(105(133)134)118-95(64)70/h4-39,52,65H,3,40-51,106H2,1-2H3,(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,119,128)(H,120,129)(H,121,130)(H,122,131)(H,123,132)(H,133,134)(H2,135,136,137)(H2,138,139,140)(H2,141,142,143)(H2,144,145,146)(H2,147,148,149)(H2,150,151,152)(H2,153,154,155)(H2,156,157,158)/t52-,65-/m1/s1
InChIKeyQYYSPUFOYIXJIA-UETWIXPBSA-N
MW2563.81 g/mol
LogP10.44
Rot. Bonds50

About 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid

8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid (PubChem CID 169408427) has the molecular formula C105H98N18O44P8 and a molecular weight of 2563.81 g/mol. Its IUPAC name is 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid
PubChem CID169408427
Molecular FormulaC105H98N18O44P8
Molecular Weight2563.81 g/mol
Exact Mass2562.39
IUPAC Name8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid
SMILESCC[C@@H](N)C(=O)NCc1cccc2c(OCP(=O)(O)O)cc(C(=O)Nc3cccc4c(OCP(=O)(O)O)cc(C(=O)NCc5cccc6c(OCP(=O)(O)O)cc(C(=O)Nc7cccc8c(OCP(=O)(O)O)cc(C(=O)Nc9ccccc9O[C@H](C)C(=O)NCc9cccc%10c(OCP(=O)(O)O)cc(C(=O)Nc%11cccc%12c(OCP(=O)(O)O)cc(C(=O)NCc%13cccc%14c(OCP(=O)(O)O)cc(C(=O)Nc%15cccc%16c(OCP(=O)(O)O)cc(C(=O)O)nc%15%16)nc%13%14)nc%11%12)nc9%10)nc78)nc56)nc34)nc12
InChIInChI=1S/C105H98N18O44P8/c1-3-65(106)97(125)108-41-54-15-7-19-58-81(160-45-169(138,139)140)35-74(112-89(54)58)102(130)121-68-28-11-23-62-85(164-49-173(150,151)152)33-72(116-93(62)68)98(126)109-42-55-16-8-20-59-82(161-46-170(141,142)143)36-75(113-90(55)59)103(131)122-69-29-12-24-63-86(165-50-174(153,154)155)38-77(117-94(63)69)100(128)119-66-26-4-5-31-79(66)167-52(2)96(124)107-40-53-14-6-18-57-80(159-44-168(135,136)137)34-73(111-88(53)57)101(129)120-67-27-10-22-61-84(163-48-172(147,148)149)32-71(115-92(61)67)99(127)110-43-56-17-9-21-60-83(162-47-171(144,145)146)37-76(114-91(56)60)104(132)123-70-30-13-25-64-87(166-51-175(156,157)158)39-78(105(133)134)118-95(64)70/h4-39,52,65H,3,40-51,106H2,1-2H3,(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,119,128)(H,120,129)(H,121,130)(H,122,131)(H,123,132)(H,133,134)(H2,135,136,137)(H2,138,139,140)(H2,141,142,143)(H2,144,145,146)(H2,147,148,149)(H2,150,151,152)(H2,153,154,155)(H2,156,157,158)/t52-,65-/m1/s1
InChIKeyQYYSPUFOYIXJIA-UETWIXPBSA-N
XLogP10.44
TPSA971.65 Ų
H-Bond Donors27
H-Bond Acceptors36
Rotatable Bonds50
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002563.81
LogP ≤ 510.44
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid with MolForge

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Related Compounds

4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-Nitroquinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinoline-2-Carboxylic Acid
CID 101440415
8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[(2-hydroxyacetyl)amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid
CID 168429805
8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[(2-aminobutanoylamino)methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid
CID 169408426
8-[[8-[[8-[[8-(Carbamoylamino)-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-(carboxymethoxy)quinoline-2-carboxylic acid
CID 171921970
4-(Carboxymethoxy)-8-[[4-hydroxy-8-[[4-hydroxy-8-[[8-[[2-(2-hydroxyethoxy)acetyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid
CID 171921973
8-[[8-[[8-[[8-Acetamido-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carboxylic acid
CID 171921974
3-[8-Acetamido-2-[[4-(3-azaniumylpropoxy)-2-[[6-[[4-(3-azaniumylpropoxy)-2-carboxyquinolin-8-yl]carbamoyl]-2-pyridinyl]methylcarbamoyl]quinolin-8-yl]carbamoyl]quinolin-4-yl]oxypropylazanium
CID 172914152
8-[[8-[[8-[[8-[[8-[[7-[[7-[[7-[[7-Acetamido-4-(3-aminopropoxy)-8-methoxyquinoline-2-carbonyl]amino]-4-(3-aminopropoxy)-8-methoxyquinoline-2-carbonyl]amino]-4-(3-aminopropoxy)-8-methoxyquinoline-2-carbonyl]amino]-4-(3-aminopropoxy)-8-methoxyquinoline-2-carbonyl]amino]-4-(carboxymethoxy)quinoline-2-carbonyl]amino]-4-(3-aminopropoxy)quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]quinoline-2-carbonyl]amino]-4-(carboxymethoxy)quinoline-2-carboxylic acid
CID 178244798
8-[[8-[[8-[[4-(3-Aminopropoxy)-8-[[8-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]-4-hydroxyquinoline-2-carbonyl]amino]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid
CID 178255308
2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
CID 139185374
Benzyl 5-(2-diethoxyphosphorylethyl)-8-[[8-[[[5-(2-diethoxyphosphorylethyl)-8-[[8-[[[5-(2-diethoxyphosphorylethyl)-8-[[8-[[[5-(2-diethoxyphosphorylethyl)-8-[[4-(diethoxyphosphorylmethoxy)-8-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]methyl]-4-(diethoxyphosphorylmethoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]methyl]-4-(diethoxyphosphorylmethoxy)quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]methyl]-4-(diethoxyphosphorylmethoxy)quinoline-2-carbonyl]amino]quinoline-2-carboxylate
CID 168302872
Methyl 8-[[8-[[8-[[8-[[8-amino-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]quinoline-2-carboxylate
CID 16158261

Frequently Asked Questions

What is the IUPAC name of 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid?
The IUPAC name of 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid (CID 169408427) is 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid is CC[C@@H](N)C(=O)NCc1cccc2c(OCP(=O)(O)O)cc(C(=O)Nc3cccc4c(OCP(=O)(O)O)cc(C(=O)NCc5cccc6c(OCP(=O)(O)O)cc(C(=O)Nc7cccc8c(OCP(=O)(O)O)cc(C(=O)Nc9ccccc9O[C@H](C)C(=O)NCc9cccc%10c(OCP(=O)(O)O)cc(C(=O)Nc%11cccc%12c(OCP(=O)(O)O)cc(C(=O)NCc%13cccc%14c(OCP(=O)(O)O)cc(C(=O)Nc%15cccc%16c(OCP(=O)(O)O)cc(C(=O)O)nc%15%16)nc%13%14)nc%11%12)nc9%10)nc78)nc56)nc34)nc12.
What is the InChIKey of 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid?
The InChIKey is QYYSPUFOYIXJIA-UETWIXPBSA-N. The full InChI is InChI=1S/C105H98N18O44P8/c1-3-65(106)97(125)108-41-54-15-7-19-58-81(160-45-169(138,139)140)35-74(112-89(54)58)102(130)121-68-28-11-23-62-85(164-49-173(150,151)152)33-72(116-93(62)68)98(126)109-42-55-16-8-20-59-82(161-46-170(141,142)143)36-75(113-90(55)59)103(131)122-69-29-12-24-63-86(165-50-174(153,154)155)38-77(117-94(63)69)100(128)119-66-26-4-5-31-79(66)167-52(2)96(124)107-40-53-14-6-18-57-80(159-44-168(135,136)137)34-73(111-88(53)57)101(129)120-67-27-10-22-61-84(163-48-172(147,148)149)32-71(115-92(61)67)99(127)110-43-56-17-9-21-60-83(162-47-171(144,145)146)37-76(114-91(56)60)104(132)123-70-30-13-25-64-87(166-51-175(156,157)158)39-78(105(133)134)118-95(64)70/h4-39,52,65H,3,40-51,106H2,1-2H3,(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,119,128)(H,120,129)(H,121,130)(H,122,131)(H,123,132)(H,133,134)(H2,135,136,137)(H2,138,139,140)(H2,141,142,143)(H2,144,145,146)(H2,147,148,149)(H2,150,151,152)(H2,153,154,155)(H2,156,157,158)/t52-,65-/m1/s1.
What are the key properties of 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid?
8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid has a molecular weight of 2563.81 g/mol, XLogP of 10.44, 50 rotatable bonds, 27 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[8-[[[8-[[8-[[[(2R)-2-[2-[[8-[[8-[[[8-[[8-[[[(2R)-2-aminobutanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]phenoxy]propanoyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]methyl]-4-(phosphonomethoxy)quinoline-2-carbonyl]amino]-4-(phosphonomethoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 169408427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).