4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid

C104H152N12O15 — CID 101356519

IUPAC4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCCCCCCCOc1cc(NC(=O)OCc2ccccc2)nc(NC(=O)c2cc(OCCCCCCCCCC)cc(C(=O)Nc3cc(OCCCCCCCCCC)cc(NC(=O)c4cc(OCCCCCCCCCC)cc(C(=O)Nc5cc(OCCCCCCCCCC)cc(NC(=O)c6cc(OCCCCCCCCCC)cc(C(=O)O)n6)n5)n4)n3)n2)c1
InChIInChI=1S/C104H152N12O15/c1-7-13-19-25-31-37-43-52-60-125-80-66-86(105-87(67-80)99(118)113-94-74-84(129-64-56-47-41-35-29-23-17-11-5)75-95(109-94)114-102(121)90-70-82(71-91(107-90)103(122)123)127-62-54-45-39-33-27-21-15-9-3)98(117)111-92-72-83(128-63-55-46-40-34-28-22-16-10-4)73-93(108-92)112-100(119)88-68-81(126-61-53-44-38-32-26-20-14-8-2)69-89(106-88)101(120)115-96-76-85(130-65-57-48-42-36-30-24-18-12-6)77-97(110-96)116-104(124)131-78-79-58-50-49-51-59-79/h49-51,58-59,66-77H,7-48,52-57,60-65,78H2,1-6H3,(H,122,123)(H2,108,111,112,117,119)(H2,109,113,114,118,121)(H2,110,115,116,120,124)
InChIKeyKEFFFDGGIGHEHX-UHFFFAOYSA-N
MW1810.43 g/mol
LogP26.88
Rot. Bonds74

About 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid

4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 101356519) has the molecular formula C104H152N12O15 and a molecular weight of 1810.43 g/mol. Its IUPAC name is 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID101356519
Molecular FormulaC104H152N12O15
Molecular Weight1810.43 g/mol
Exact Mass1809.15
IUPAC Name4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCCCCCCCOc1cc(NC(=O)OCc2ccccc2)nc(NC(=O)c2cc(OCCCCCCCCCC)cc(C(=O)Nc3cc(OCCCCCCCCCC)cc(NC(=O)c4cc(OCCCCCCCCCC)cc(C(=O)Nc5cc(OCCCCCCCCCC)cc(NC(=O)c6cc(OCCCCCCCCCC)cc(C(=O)O)n6)n5)n4)n3)n2)c1
InChIInChI=1S/C104H152N12O15/c1-7-13-19-25-31-37-43-52-60-125-80-66-86(105-87(67-80)99(118)113-94-74-84(129-64-56-47-41-35-29-23-17-11-5)75-95(109-94)114-102(121)90-70-82(71-91(107-90)103(122)123)127-62-54-45-39-33-27-21-15-9-3)98(117)111-92-72-83(128-63-55-46-40-34-28-22-16-10-4)73-93(108-92)112-100(119)88-68-81(126-61-53-44-38-32-26-20-14-8-2)69-89(106-88)101(120)115-96-76-85(130-65-57-48-42-36-30-24-18-12-6)77-97(110-96)116-104(124)131-78-79-58-50-49-51-59-79/h49-51,58-59,66-77H,7-48,52-57,60-65,78H2,1-6H3,(H,122,123)(H2,108,111,112,117,119)(H2,109,113,114,118,121)(H2,110,115,116,120,124)
InChIKeyKEFFFDGGIGHEHX-UHFFFAOYSA-N
XLogP26.88
TPSA353.85 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds74
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001810.43
LogP ≤ 526.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid (CID 101356519) is 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid is CCCCCCCCCCOc1cc(NC(=O)OCc2ccccc2)nc(NC(=O)c2cc(OCCCCCCCCCC)cc(C(=O)Nc3cc(OCCCCCCCCCC)cc(NC(=O)c4cc(OCCCCCCCCCC)cc(C(=O)Nc5cc(OCCCCCCCCCC)cc(NC(=O)c6cc(OCCCCCCCCCC)cc(C(=O)O)n6)n5)n4)n3)n2)c1.
What is the InChIKey of 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is KEFFFDGGIGHEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H152N12O15/c1-7-13-19-25-31-37-43-52-60-125-80-66-86(105-87(67-80)99(118)113-94-74-84(129-64-56-47-41-35-29-23-17-11-5)75-95(109-94)114-102(121)90-70-82(71-91(107-90)103(122)123)127-62-54-45-39-33-27-21-15-9-3)98(117)111-92-72-83(128-63-55-46-40-34-28-22-16-10-4)73-93(108-92)112-100(119)88-68-81(126-61-53-44-38-32-26-20-14-8-2)69-89(106-88)101(120)115-96-76-85(130-65-57-48-42-36-30-24-18-12-6)77-97(110-96)116-104(124)131-78-79-58-50-49-51-59-79/h49-51,58-59,66-77H,7-48,52-57,60-65,78H2,1-6H3,(H,122,123)(H2,108,111,112,117,119)(H2,109,113,114,118,121)(H2,110,115,116,120,124).
What are the key properties of 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 1810.43 g/mol, XLogP of 26.88, 74 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-[[4-decoxy-6-(phenylmethoxycarbonylamino)-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 101356519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).