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AC-SDKP-NH2

CAT: 0931-TP2945-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2945-02Size:50 mg
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CAS Number
194484-75-8
Target
Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolism
Bioactivity
Ac-SDKP is a natural tetrapeptide with anti-inflammatory and anti-fibrotic properties.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC(C)=O)CO)=O)CC(O)=O)=O)CCCCN)(=O)N1[C@H](C(N)=O)CCC1
Molecular Formula
C20H34N6O8
Molecular Weight
486.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Acetyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-prolinamide
CAS Number194484-75-8
PubChem CID9805428
IUPAC Name(3S)-3-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-[[(2S)-6-amino-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC20H34N6O8
Molecular Weight486.5
XLogP-6
Topological Polar Surface Area234
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity776
SMILES
CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N
InChI
InChI=1S/C20H34N6O8/c1-11(28)23-14(10-27)19(33)25-13(9-16(29)30)18(32)24-12(5-2-3-7-21)20(34)26-8-4-6-15(26)17(22)31/h12-15,27H,2-10,21H2,1H3,(H2,22,31)(H,23,28)(H,24,32)(H,25,33)(H,29,30)/t12-,13-,14-,15-/m0/s1
InChIKey
ACMIBWBOUYXHMF-AJNGGQMLSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-prolinamide
CAS: 194484-75-8
CID: 9805428
Formula: C20H34N6O8
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP3-6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass486.24381206
Monoisotopic Mass486.24381206
Topological Polar Surface Area234 Ų
Heavy Atom Count34
Formal Charge0
Complexity776
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes