N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane

C57H107N11O19 — CID 172919237

About N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane

N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane (PubChem CID 172919237) has the molecular formula C57H107N11O19 and a molecular weight of 1250.54 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane.

Molecular Properties

• Compound Name: N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane
• PubChem CID: 172919237
• Molecular Formula: C57H107N11O19
• Molecular Weight: 1250.54 g/mol
• Exact Mass: 1249.77
• IUPAC Name: N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane
• SMILES: C.CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)CCC(CCCCNC(=O)CCCC(=O)NC(CNC(C)(C)/C(C)=N/O)CNC(C)(C)/C(C)=N/O)C(N)=O
• InChI: InChI=1S/C56H103N11O19.CH4/c1-42(68)38-83-32-28-81-26-22-61-52(74)40-85-34-30-79-24-20-59-49(71)13-10-14-50(72)60-21-25-80-31-35-86-41-53(75)62-23-27-82-29-33-84-39-47(69)18-17-45(54(57)76)12-8-9-19-58-48(70)15-11-16-51(73)65-46(36-63-55(4,5)43(2)66-77)37-64-56(6,7)44(3)67-78;/h45-46,63-64,77-78H,8-41H2,1-7H3,(H2,57,76)(H,58,70)(H,59,71)(H,60,72)(H,61,74)(H,62,75)(H,65,73);1H4/b66-43+,67-44+
• InChIKey: SLAMUTKLXRDIRS-ZUNJRGTRSA-N
• XLogP: -0.19
• TPSA: 414.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 58
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.54
LogP ≤ 5	-0.19
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane?

The IUPAC name of N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane (CID 172919237) is N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane.

What is the SMILES notation for N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane?

The canonical SMILES for N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane is C.CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)CCC(CCCCNC(=O)CCCC(=O)NC(CNC(C)(C)/C(C)=N/O)CNC(C)(C)/C(C)=N/O)C(N)=O.

What is the InChIKey of N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane?

The InChIKey is SLAMUTKLXRDIRS-ZUNJRGTRSA-N. The full InChI is InChI=1S/C56H103N11O19.CH4/c1-42(68)38-83-32-28-81-26-22-61-52(74)40-85-34-30-79-24-20-59-49(71)13-10-14-50(72)60-21-25-80-31-35-86-41-53(75)62-23-27-82-29-33-84-39-47(69)18-17-45(54(57)76)12-8-9-19-58-48(70)15-11-16-51(73)65-46(36-63-55(4,5)43(2)66-77)37-64-56(6,7)44(3)67-78;/h45-46,63-64,77-78H,8-41H2,1-7H3,(H2,57,76)(H,58,70)(H,59,71)(H,60,72)(H,61,74)(H,62,75)(H,65,73);1H4/b66-43+,67-44+;.

What are the key properties of N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane?

N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane has a molecular weight of 1250.54 g/mol, XLogP of -0.19, 58 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[2-[2-[2-[2-[(5R)-9-[[5-[1,3-bis[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]propan-2-ylamino]-5-oxopentanoyl]amino]-5-carbamoyl-2-oxononoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]pentanediamide;methane is sourced from PubChem (CID 172919237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).