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2576-67-2 molecular structure
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2-({2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)acetic acid

ChemBase ID: 102564
Molecular Formular: C10H19N3O4
Molecular Mass: 245.27556
Monoisotopic Mass: 245.1375561
SMILES and InChIs

SMILES:
CC(C)CC(/N=C(\O)/CN)/C(=N/CC(=O)O)/O
Canonical SMILES:
NC/C(=N/C(/C(=N/CC(=O)O)/O)CC(C)C)/O
InChI:
InChI=1S/C10H19N3O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKey:
CCBIBMKQNXHNIN-UHFFFAOYSA-N

Cite this record

CBID:102564 http://www.chembase.cn/molecule-102564.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-({2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)acetic acid
IUPAC Traditional name
({2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)acetic acid
Synonyms
L-Leucyl-glycyl-glycine
LEU-GLY-GLY
CAS Number
2576-67-2
EC Number
214-698-1
PubChem SID
162090195
PubChem CID
259586

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02102175 external link Add to cart Please log in.
Data Source Data ID
PubChem 259586 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.056189  H Acceptors
H Donor LogD (pH = 5.5) -2.6356685 
LogD (pH = 7.4) -5.59304  Log P -2.3641562 
Molar Refractivity 60.8213 cm3 Polarizability 23.644014 Å3
Polar Surface Area 128.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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