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Icrocaptide

CAT: 0931-T27581-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T27581-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
169543-49-1
Target
Others
Related Pathways
Others
Bioactivity
Icrocaptide is used potentially for the treatment of acute myocardial infarction.
Smiles
C([C@@H](N(C(CN)=O)CC)CCCCN)(=O)N1[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CCC1
Molecular Formula
C21H40N8O5
Molecular Weight
484.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Icrocaptide

Icrocaptide is a small molecule drug. Icrocaptide has a monoisotopic molecular weight of 484.31 Da.

CAS Number169543-49-1
PubChem CID216295
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[(2-aminoacetyl)-ethylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC21H40N8O5
Molecular Weight484.6
XLogP-4.7
Topological Polar Surface Area223
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity728
SMILES
CCN([C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)CN
InChI
InChI=1S/C21H40N8O5/c1-2-28(17(30)13-23)16(8-3-4-10-22)19(32)29-12-6-9-15(29)18(31)27-14(20(33)34)7-5-11-26-21(24)25/h14-16H,2-13,22-23H2,1H3,(H,27,31)(H,33,34)(H4,24,25,26)/t14-,15-,16-/m0/s1
InChIKey
LPKPGXJXCZNDJO-JYJNAYRXSA-N
Chemical Structure
2D Structure
2D structure of Icrocaptide
CAS: 169543-49-1
CID: 216295
Formula: C21H40N8O5
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP3-4.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass484.31216641
Monoisotopic Mass484.31216641
Topological Polar Surface Area223 Ų
Heavy Atom Count34
Formal Charge0
Complexity728
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106428Icrocaptide

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