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NH2-AKK-COOH

CAT: 0931-T76246-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T76246-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158837-92-4
Target
Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolism
Bioactivity
NH2-AKK-COOH, a synthetic tripeptide, acts as an ACE inhibitor with IC50 values of 0.090 μM, 0.178 μM, and 420.89 μM against substrates FAPGG, HHL, and angiotensin-I, respectively [1].
Smiles
[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)(NC([C@H](C)N)=O)CCCCN
Molecular Formula
C15H31N5O4
Molecular Weight
345.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ala-Lys-Lys

Ala-Lys-Lys is a tripeptide.

CAS Number158837-92-4
PubChem CID54385156
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC15H31N5O4
Molecular Weight345.44
XLogP-5.1
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity405
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C15H31N5O4/c1-10(18)13(21)19-11(6-2-4-8-16)14(22)20-12(15(23)24)7-3-5-9-17/h10-12H,2-9,16-18H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t10-,11-,12-/m0/s1
InChIKey
VCSABYLVNWQYQE-SRVKXCTJSA-N
Chemical Structure
2D Structure
2D structure of Ala-Lys-Lys
CAS: 158837-92-4
CID: 54385156
Formula: C15H31N5O4
MW: 345.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.44
XLogP3-5.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass345.23760449
Monoisotopic Mass345.23760449
Topological Polar Surface Area174 Ų
Heavy Atom Count24
Formal Charge0
Complexity405
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

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