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13434-13-4 molecular structure
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N-hydroxy-N'-{1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-pentylbutanediamide

ChemBase ID: 104087
Molecular Formular: C19H35N3O5
Molecular Mass: 385.4983
Monoisotopic Mass: 385.25767124
SMILES and InChIs

SMILES:
CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO
Canonical SMILES:
CCCCCC(C(=O)NC(C(=O)N1CCCC1CO)C(C)C)CC(=O)NO
InChI:
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)
InChIKey:
XJLATMLVMSFZBN-UHFFFAOYSA-N

Cite this record

CBID:104087 http://www.chembase.cn/molecule-104087.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-hydroxy-N'-{1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-pentylbutanediamide
IUPAC Traditional name
N-hydroxy-N'-{1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-pentylbutanediamide
actinonin
Synonyms
3-[[1-[(2-(Hydroxymethyl)-1-pyrrolidinyl)carbonyl]-2-methylpropyl]carbamoyl]octanohydroxamic acid
Actinonin
3-[[1-[[2-(Hydroxymethyl)-1-pyrolidinyl]carbonyl]-2-methyl-propyl]carbamoyl]octano-hydroxamic acid
ACTINONIN
CAS Number
13434-13-4
MDL Number
MFCD00080257
Beilstein Number
1555250
PubChem SID
24278232
162091407
PubChem CID
2020

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2020 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.899384  H Acceptors
H Donor LogD (pH = 5.5) 0.879329 
LogD (pH = 7.4) 0.8660266  Log P 0.8795019 
Molar Refractivity 101.5144 cm3 Polarizability 39.930626 Å3
Polar Surface Area 118.97 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
RG9900700 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Gene Information
human ... ANPEP(290), DPP4(1803), ECE1(1889), LAP3(51056) expand Show data source
Purity
≥99.0% (TLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C19H35N3O5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02154712 external link
(3-[[1-[[2-(Hydroxymethyl)-1-pyrolidinyl]carbonyl]-2-methyl- propyl]carbamoyl]octano- hydroxamic acid) Inhibitor of aminopeptidase M and leucine aminopeptidase.
Sigma Aldrich - A6671 external link
Biochem/physiol Actions
Inhibitor of leucine aminopeptidase.
Application
Actinonin is an inhibitor of leucine aminopeptidase. Actinonin has also been used to improve antibacterial activity and antiobesity therapeutics.
Sigma Aldrich - 01809 external link
Biochem/physiol Actions
Inhibitor of leucine aminopeptidase.
Other Notes
Aminopeptidase inhibitor1,2

REFERENCES

REFERENCES

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  • • Umezawa, H., et al., J. Antibiot.,38: 1629, (1985).
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PATENTS

PATENTS

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INTERNET

INTERNET

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