tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid

C72H100F4N16O24 — CID 157256066

About tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid

tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid (PubChem CID 157256066) has the molecular formula C72H100F4N16O24 and a molecular weight of 1645.68 g/mol. Its IUPAC name is tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid.

Molecular Properties

• Compound Name: tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid
• PubChem CID: 157256066
• Molecular Formula: C72H100F4N16O24
• Molecular Weight: 1645.68 g/mol
• Exact Mass: 1644.71
• IUPAC Name: tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid
• SMILES: CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccc([18F])cc1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccc([18F])nc1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccc([18F])nn1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccnc([18F])c1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C18H26FN3O4.2C17H25FN4O4.C16H24FN5O4.4CO2/c1-2-6-15(17(24)25)22-18(26)21-12-5-3-4-11-20-16(23)13-7-9-14(19)10-8-13;1-2-6-13(16(24)25)22-17(26)20-10-5-3-4-9-19-15(23)12-7-8-14(18)21-11-12;1-2-6-13(16(24)25)22-17(26)21-9-5-3-4-8-20-15(23)12-7-10-19-14(18)11-12;1-2-6-12(15(24)25)20-16(26)19-10-5-3-4-9-18-14(23)11-7-8-13(17)22-21-11;4*2-1-3/h7-10,15H,2-6,11-12H2,1H3,(H,20,23)(H,24,25)(H2,21,22,26);7-8,11,13H,2-6,9-10H2,1H3,(H,19,23)(H,24,25)(H2,20,22,26);7,10-11,13H,2-6,8-9H2,1H3,(H,20,23)(H,24,25)(H2,21,22,26);7-8,12H,2-6,9-10H2,1H3,(H,18,23)(H,24,25)(H2,19,20,26);;;;/t15-;2*13-;12-;;;;/m0000..../s1/i19-1;2*18-1;17-1
• InChIKey: AWXFZECFJWVDJX-DZDONPAUSA-N
• XLogP: 4.36
• TPSA: 618.24 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 44
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.68
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid?

The IUPAC name of tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid (CID 157256066) is tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid.

What is the SMILES notation for tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid?

The canonical SMILES for tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccc([18F])cc1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccc([18F])nc1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccc([18F])nn1)C(=O)O.CCC[C@H](NC(=O)NCCCCCNC(=O)c1ccnc([18F])c1)C(=O)O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid?

The InChIKey is AWXFZECFJWVDJX-DZDONPAUSA-N. The full InChI is InChI=1S/C18H26FN3O4.2C17H25FN4O4.C16H24FN5O4.4CO2/c1-2-6-15(17(24)25)22-18(26)21-12-5-3-4-11-20-16(23)13-7-9-14(19)10-8-13;1-2-6-13(16(24)25)22-17(26)20-10-5-3-4-9-19-15(23)12-7-8-14(18)21-11-12;1-2-6-13(16(24)25)22-17(26)21-9-5-3-4-8-20-15(23)12-7-10-19-14(18)11-12;1-2-6-12(15(24)25)20-16(26)19-10-5-3-4-9-18-14(23)11-7-8-13(17)22-21-11;4*2-1-3/h7-10,15H,2-6,11-12H2,1H3,(H,20,23)(H,24,25)(H2,21,22,26);7-8,11,13H,2-6,9-10H2,1H3,(H,19,23)(H,24,25)(H2,20,22,26);7,10-11,13H,2-6,8-9H2,1H3,(H,20,23)(H,24,25)(H2,21,22,26);7-8,12H,2-6,9-10H2,1H3,(H,18,23)(H,24,25)(H2,19,20,26);;;;/t15-;2*13-;12-;;;;/m0000..../s1/i19-1;2*18-1;17-1;;;;.

What are the key properties of tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid?

tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid has a molecular weight of 1645.68 g/mol, XLogP of 4.36, 44 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(carbon dioxide);(2S)-2-[5-[(4-(18F)fluorobenzoyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridazine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(2-(18F)fluoropyridine-4-carbonyl)amino]pentylcarbamoylamino]pentanoic acid;(2S)-2-[5-[(6-(18F)fluoropyridine-3-carbonyl)amino]pentylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 157256066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).