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(2R)-N-hydroxy-N'-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
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ChemBase ID:
3914
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Molecular Formular:
C19H35N3O5
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Molecular Mass:
385.4983
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Monoisotopic Mass:
385.25767124
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SMILES and InChIs
SMILES:
C(C(=O)NO)[C@H](C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](CCC1)CO)CCCCC
Canonical SMILES:
CCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)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)/t14-,15+,17+/m1/s1
InChIKey:
XJLATMLVMSFZBN-VYDXJSESSA-N
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Cite this record
CBID:3914 http://www.chembase.cn/molecule-3914.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R)-N-hydroxy-N'-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide
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IUPAC Traditional name
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Synonyms
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Actinonin
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2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide
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(2R)-N4-Hydroxy-N1-[(1S)-1-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-2-pentyl-butanediamide
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Actinonine
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3-[[1-[[2-(Hydroxymethyl)-1-pyrrolidinyl]carbonyl]-2-methylpropyl]carbamoyl]octanohydroxamic Acid
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Actinonin
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CONA 57
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Ro 06-1467
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(-)-Actinonin
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CAS Number
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PubChem SID
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PubChem CID
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CHEMBL
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Chemspider ID
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DrugBank ID
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
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8.899384
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H Acceptors
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5
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H Donor
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4
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LogD (pH = 5.5)
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0.879329
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LogD (pH = 7.4)
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0.8660266
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Log P
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0.8795019
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Molar Refractivity
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101.5144 cm3
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Polarizability
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39.930626 Å3
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Polar Surface Area
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118.97 Å2
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Rotatable Bonds
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11
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Lipinski's Rule of Five
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true
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Log P
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1.33
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LOG S
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-2.1
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Solubility (Water)
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3.03e+00 g/l
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DETAILS
DETAILS
DrugBank
Wikipedia
TRC
Toronto Research Chemicals -
A192000
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(-)-Actinonin is a bioactive peptide and antibiotic that is a potent inhibitor of aminopeptidase M and leucine aminopeptidase. Actinonin has observed to be an inhibitor of peptide deformylase, meprin A, and thermolysin. Actinonin also inhibits tumor cell |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Umezawa, H., et al.: J. Antibiot., 38, 1629 (1985)
- • Escobar-Alvarez, S., et al.: J. Mol. Biol., 387, 1211 (1985)
- • Berg, A., et al.: Biochem., 48, 1584 (1985)
- • Kuehlmann, U., et al.: Life Sci., 84, 1 (1985)
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PATENTS
PATENTS
PubChem Patent
Google Patent