Home > Compound List > Compound details
151151-29-0 molecular structure
click picture or here to close

6-amino-2-[2-amino-3-(1H-imidazol-5-yl)propanamido]hexanoic acid hydrobromide

ChemBase ID: 104838
Molecular Formular: C12H22BrN5O3
Molecular Mass: 364.23878
Monoisotopic Mass: 363.09060159
SMILES and InChIs

SMILES:
Br.NCCCCC(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
Canonical SMILES:
NCCCCC(C(=O)O)NC(=O)C(Cc1cnc[nH]1)N.Br
InChI:
InChI=1S/C12H21N5O3.BrH/c13-4-2-1-3-10(12(19)20)17-11(18)9(14)5-8-6-15-7-16-8;/h6-7,9-10H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20);1H
InChIKey:
WSMPABBFCFUXFV-UHFFFAOYSA-N

Cite this record

CBID:104838 http://www.chembase.cn/molecule-104838.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-2-[2-amino-3-(1H-imidazol-5-yl)propanamido]hexanoic acid hydrobromide
IUPAC Traditional name
6-amino-2-[2-amino-3-(3H-imidazol-4-yl)propanamido]hexanoic acid hydrobromide
Synonyms
Hydrobromide Salt
HIS-LYS HYDROBROMIDE
CAS Number
151151-29-0
PubChem SID
162093099
PubChem CID
44134763

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02157377 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134763 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5295298  H Acceptors
H Donor LogD (pH = 5.5) -7.093326 
LogD (pH = 7.4) -5.0149236  Log P -4.341631 
Molar Refractivity 72.6686 cm3 Polarizability 28.554354 Å3
Polar Surface Area 147.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02157377 external link
Hydrobromide Salt

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle