bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

C100H110F2N16O36 — CID 159021033

IUPACbis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c2ccc([18F])nc2)C(=O)O)cc1)C(=O)O)C(=O)O.O=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)CCC(NC(=O)CCC(NC(=O)c2ccnc([18F])c2)C(=O)O)C(=O)O)cc1)C(=O)O)C(=O)O.O=C=O.O=C=O
InChIInChI=1S/2C49H55FN8O16.2CO2/c50-38-18-14-32(26-52-38)43(65)55-35(47(70)71)15-19-39(59)54-33(16-20-40(60)61)44(66)53-25-27-8-12-30(13-9-27)42(64)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(67)51-22-4-3-7-34(46(68)69)57-49(74)58-36(48(72)73)17-21-41(62)63;50-38-25-32(20-22-51-38)43(64)55-35(47(70)71)15-18-40(60)54-34(46(68)69)14-17-39(59)53-26-27-8-12-30(13-9-27)42(63)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)44(65)52-21-4-3-7-33(45(66)67)57-49(74)58-36(48(72)73)16-19-41(61)62;2*2-1-3/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,67)(H,53,66)(H,54,59)(H,55,65)(H,56,64)(H,60,61)(H,62,63)(H,68,69)(H,70,71)(H,72,73)(H2,57,58,74);1-2,5-6,8-13,20,22-23,25,33-37H,3-4,7,14-19,21,24,26H2,(H,52,65)(H,53,59)(H,54,60)(H,55,64)(H,56,63)(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,57,58,74);;/i2*50-1;;
InChIKeyJTRWPOBAFUKZQT-LTAPZNTPSA-N
MW2148.06 g/mol
LogP2.24
Rot. Bonds60

About bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid (PubChem CID 159021033) has the molecular formula C100H110F2N16O36 and a molecular weight of 2148.06 g/mol. Its IUPAC name is bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Namebis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
PubChem CID159021033
Molecular FormulaC100H110F2N16O36
Molecular Weight2148.06 g/mol
Exact Mass2146.73
IUPAC Namebis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c2ccc([18F])nc2)C(=O)O)cc1)C(=O)O)C(=O)O.O=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)CCC(NC(=O)CCC(NC(=O)c2ccnc([18F])c2)C(=O)O)C(=O)O)cc1)C(=O)O)C(=O)O.O=C=O.O=C=O
InChIInChI=1S/2C49H55FN8O16.2CO2/c50-38-18-14-32(26-52-38)43(65)55-35(47(70)71)15-19-39(59)54-33(16-20-40(60)61)44(66)53-25-27-8-12-30(13-9-27)42(64)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(67)51-22-4-3-7-34(46(68)69)57-49(74)58-36(48(72)73)17-21-41(62)63;50-38-25-32(20-22-51-38)43(64)55-35(47(70)71)15-18-40(60)54-34(46(68)69)14-17-39(59)53-26-27-8-12-30(13-9-27)42(63)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)44(65)52-21-4-3-7-33(45(66)67)57-49(74)58-36(48(72)73)16-19-41(61)62;2*2-1-3/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,67)(H,53,66)(H,54,59)(H,55,65)(H,56,64)(H,60,61)(H,62,63)(H,68,69)(H,70,71)(H,72,73)(H2,57,58,74);1-2,5-6,8-13,20,22-23,25,33-37H,3-4,7,14-19,21,24,26H2,(H,52,65)(H,53,59)(H,54,60)(H,55,64)(H,56,63)(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,57,58,74);;/i2*50-1;;
InChIKeyJTRWPOBAFUKZQT-LTAPZNTPSA-N
XLogP2.24
TPSA840.32 Ų
H-Bond Donors24
H-Bond Acceptors28
Rotatable Bonds60
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.06
LogP ≤ 52.24
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid with MolForge

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Related Compounds

2-[3-[[4-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]phenyl]methylamino]-3-oxopropyl]-5-[(2-(18F)fluoropyridine-4-carbonyl)amino]-4-oxooctanedioic acid
CID 157198751
2-[[1-carboxy-5-[[2-[[4-[[[3-carboxy-2-[[4-carboxy-2-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 135208978
2-[[1-carboxy-5-[[2-[[4-[[[2-carboxy-2-[[4-carboxy-2-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]acetyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 135208958
7-[[4-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]phenyl]methylcarbamoyl]-2-[(6-(18F)fluoropyridine-3-carbonyl)amino]-5-oxononanedioic acid
CID 158463779
(2R)-2-[[(1R)-1-carboxy-5-[[(2R)-2-[[(2R)-4-carboxy-2-[[(2R)-4-carboxy-2-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;(2S)-2-[[(1S)-1-carboxy-5-[[(2R)-2-[[(4R)-4-carboxy-4-[[4-carboxy-2-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;(2R)-2-[[(1R)-1-carboxy-5-[[(2R)-2-[[4-[[[(2S)-2-(2-carboxyethyl)-4-(2-(18F)fluoro-4-pyridinyl)-4-oxobutanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;(4S,7R)-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]-7-[[4-[[(2S)-1-naphthalen-2-ylpropan-2-yl]carbamoyl]phenyl]methylcarbamoyl]-5-oxodecanedioic acid
CID 162057954
2-[[1-carboxy-5-[[2-[[4-[[[2-carboxy-2-[[4-carboxy-2-[(6-hydrazinylpyridine-3-carbonyl)amino]butanoyl]amino]acetyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 165376899
[[5-[[1-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]hydrazinylidene]technetium(4+)
CID 153278375
(2S)-2-[[(1S)-1-carboxy-5-[[8-[[(5R)-5-carboxy-5-[[(2S)-2-[[(2S)-4-carboxy-2-[(6-fluoropyridine-3-carbonyl)amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 177043189
(2S)-2-[[(1S)-1-carboxy-4,4-dihydroxybutyl]carbamoylamino]-6-[[(2S)-3-naphthalen-2-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]benzoyl]amino]propanoyl]amino]hexanoic acid
CID 177320621
2-[[1-carboxy-5-[[3-naphthalen-2-yl-2-[[6-[2-[2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetyl]hydrazinyl]pyridine-3-carbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 176592315
6-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-2-[(4-methylbenzoyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-2-[(1-carboxy-4-methoxy-4-oxobutyl)carbamoylamino]hexanoic acid;2-[(1-carboxy-4-methoxy-4-oxobutyl)carbamoylamino]-6-[(4-methylbenzoyl)amino]hexanoic acid;2-[[1-carboxy-2-[(4-methylphenyl)methylsulfanyl]ethyl]carbamoylamino]-5-methoxy-5-oxopentanoic acid;ethane
CID 165072283
(2S)-2-[[(1S)-1-carboxy-5-[[3-naphthalen-1-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]benzoyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 171346040

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid?
The IUPAC name of bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid (CID 159021033) is bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid.
What is the SMILES notation for bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid?
The canonical SMILES for bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid is O=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)C(CCC(=O)O)NC(=O)CCC(NC(=O)c2ccc([18F])nc2)C(=O)O)cc1)C(=O)O)C(=O)O.O=C(O)CCC(NC(=O)NC(CCCCNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1ccc(CNC(=O)CCC(NC(=O)CCC(NC(=O)c2ccnc([18F])c2)C(=O)O)C(=O)O)cc1)C(=O)O)C(=O)O.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid?
The InChIKey is JTRWPOBAFUKZQT-LTAPZNTPSA-N. The full InChI is InChI=1S/2C49H55FN8O16.2CO2/c50-38-18-14-32(26-52-38)43(65)55-35(47(70)71)15-19-39(59)54-33(16-20-40(60)61)44(66)53-25-27-8-12-30(13-9-27)42(64)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(67)51-22-4-3-7-34(46(68)69)57-49(74)58-36(48(72)73)17-21-41(62)63;50-38-25-32(20-22-51-38)43(64)55-35(47(70)71)15-18-40(60)54-34(46(68)69)14-17-39(59)53-26-27-8-12-30(13-9-27)42(63)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)44(65)52-21-4-3-7-33(45(66)67)57-49(74)58-36(48(72)73)16-19-41(61)62;2*2-1-3/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,67)(H,53,66)(H,54,59)(H,55,65)(H,56,64)(H,60,61)(H,62,63)(H,68,69)(H,70,71)(H,72,73)(H2,57,58,74);1-2,5-6,8-13,20,22-23,25,33-37H,3-4,7,14-19,21,24,26H2,(H,52,65)(H,53,59)(H,54,60)(H,55,64)(H,56,63)(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H2,57,58,74);;/i2*50-1;;.
What are the key properties of bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid?
bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid has a molecular weight of 2148.06 g/mol, XLogP of 2.24, 60 rotatable bonds, 24 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-2-[[4-carboxy-4-[(6-(18F)fluoropyridine-3-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2-[[1-carboxy-5-[[2-[[4-[[[4-carboxy-4-[[4-carboxy-4-[(2-(18F)fluoropyridine-4-carbonyl)amino]butanoyl]amino]butanoyl]amino]methyl]benzoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid is sourced from PubChem (CID 159021033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).