14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid

C43H75N5O15 — CID 165060537

IUPAC14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid
SMILESCOCCOCCCNC(=O)C(CC(=O)O)CC(=O)C(C)CC(=O)CCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)CCCCCCN(O)C(C)=O
InChIInChI=1S/C43H75N5O15/c1-33(38(52)31-35(32-42(56)57)43(58)45-23-15-27-63-29-28-62-3)30-37(51)17-10-5-7-13-25-48(61)41(55)21-19-39(53)44-22-11-8-14-26-47(60)40(54)20-18-36(50)16-9-4-6-12-24-46(59)34(2)49/h33,35,59-61H,4-32H2,1-3H3,(H,44,53)(H,45,58)(H,56,57)
InChIKeyHASSBAPCZGYFOV-UHFFFAOYSA-N
MW902.09 g/mol
LogP3.79
Rot. Bonds41

About 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid

14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid (PubChem CID 165060537) has the molecular formula C43H75N5O15 and a molecular weight of 902.09 g/mol. Its IUPAC name is 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid.

Molecular Properties

Compound Name14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid
PubChem CID165060537
Molecular FormulaC43H75N5O15
Molecular Weight902.09 g/mol
Exact Mass901.53
IUPAC Name14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid
SMILESCOCCOCCCNC(=O)C(CC(=O)O)CC(=O)C(C)CC(=O)CCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)CCCCCCN(O)C(C)=O
InChIInChI=1S/C43H75N5O15/c1-33(38(52)31-35(32-42(56)57)43(58)45-23-15-27-63-29-28-62-3)30-37(51)17-10-5-7-13-25-48(61)41(55)21-19-39(53)44-22-11-8-14-26-47(60)40(54)20-18-36(50)16-9-4-6-12-24-46(59)34(2)49/h33,35,59-61H,4-32H2,1-3H3,(H,44,53)(H,45,58)(H,56,57)
InChIKeyHASSBAPCZGYFOV-UHFFFAOYSA-N
XLogP3.79
TPSA286.79 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500902.09
LogP ≤ 53.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid with MolForge

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Related Compounds

tert-butyl 4-[3-[5-[[10-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-3-oxopropoxy]butanoate
CID 158941725
N-[2-[8-[5-[[10-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutyl]-hydroxyamino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-5,8-dioxooctoxy]ethyl]-4-methylbenzamide
CID 163630856
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(hydroxyamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 10257560
20-[2-[2-[8-[[(5S)-5-carboxyhexyl]amino]-5,8-dioxooctoxy]ethoxy]ethoxy]-16-oxoicosanoic acid
CID 148745233
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
N-[2-[2-[[4-[2-[2-[[4-[2-[2-[acetyl(hydroxy)amino]ethoxy]ethylamino]-4-oxobutanoyl]-hydroxyamino]ethoxy]ethylamino]-4-oxobutanoyl]-hydroxyamino]ethoxy]ethyl]-N'-hexyl-N'-hydroxybutanediamide
CID 145324045
19-[2-[2-[[(6R)-6-carboxy-9-[[(5S)-5-carboxyhexyl]amino]-4,9-dioxononanoyl]amino]ethoxy]ethoxy]-16-oxononadecanoic acid
CID 161485622
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(2-methylhydrazinyl)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 166726509
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;gallane
CID 173092745
4-[5-[hydroxy-[4-[5-[hydroxy(10-methylundecanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylamino]-4-oxobutanoic acid
CID 163181898
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-(propylamino)pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 101086377

Frequently Asked Questions

What is the IUPAC name of 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid?
The IUPAC name of 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid (CID 165060537) is 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid.
What is the SMILES notation for 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid?
The canonical SMILES for 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid is COCCOCCCNC(=O)C(CC(=O)O)CC(=O)C(C)CC(=O)CCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)CCCCCCN(O)C(C)=O.
What is the InChIKey of 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid?
The InChIKey is HASSBAPCZGYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H75N5O15/c1-33(38(52)31-35(32-42(56)57)43(58)45-23-15-27-63-29-28-62-3)30-37(51)17-10-5-7-13-25-48(61)41(55)21-19-39(53)44-22-11-8-14-26-47(60)40(54)20-18-36(50)16-9-4-6-12-24-46(59)34(2)49/h33,35,59-61H,4-32H2,1-3H3,(H,44,53)(H,45,58)(H,56,57).
What are the key properties of 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid?
14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid has a molecular weight of 902.09 g/mol, XLogP of 3.79, 41 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[[4-[5-[[10-[acetyl(hydroxy)amino]-4-oxodecanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]-3-[3-(2-methoxyethoxy)propylcarbamoyl]-6-methyl-5,8-dioxotetradecanoic acid is sourced from PubChem (CID 165060537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).