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Histargin

CAT: 0931-T25504-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25504-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93361-66-1
Target
Carboxypeptidase, Others
Related Pathways
Proteases/Proteasome, Others
Bioactivity
Histargin is an enzyme inhibitor separated from Streptomyces roseoviridis.
Smiles
C([C@H](NCCN[C@@H](CCCNC(=N)N)C(O)=O)C(O)=O)C1=CN=CN1
Molecular Formula
C14H25N7O4
Molecular Weight
355.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Histargin

Histargin is a histidine derivative.

CAS Number93361-66-1
PubChem CID146414
IUPAC Name(2S)-2-[2-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]ethylamino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC14H25N7O4
Molecular Weight355.39
XLogP-6.6
Topological Polar Surface Area192
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity456
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)NCCN[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C14H25N7O4/c15-14(16)20-3-1-2-10(12(22)23)18-4-5-19-11(13(24)25)6-9-7-17-8-21-9/h7-8,10-11,18-19H,1-6H2,(H,17,21)(H,22,23)(H,24,25)(H4,15,16,20)/t10-,11-/m0/s1
InChIKey
LLPMPMKLOHAIMY-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of Histargin
CAS: 93361-66-1
CID: 146414
Formula: C14H25N7O4
MW: 355.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.39
XLogP3-6.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass355.19680230
Monoisotopic Mass355.19680230
Topological Polar Surface Area192 Ų
Heavy Atom Count25
Formal Charge0
Complexity456
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5775229Histargin

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