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Anti-Kentsin

CAT: 1410-M42204Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M42204Size:1 Each
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Description
Anti-Kentsin
CAS Number
73430-00-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
559.67
Molecular Formula
C22H45N11O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Anti-Kentsin Trifluoroacetate
CAS Number73430-00-9
PubChem CID145707483
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC24H46F3N11O8
Molecular Weight673.7
Topological Polar Surface Area363
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count46
Formal Charge0
Complexity930
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H45N11O6.C2HF3O2/c1-12(34)16(24)19(37)32-14(7-4-10-29-21(25)26)17(35)31-13(6-2-3-9-23)18(36)33-15(20(38)39)8-5-11-30-22(27)28;3-2(4,5)1(6)7/h12-16,34H,2-11,23-24H2,1H3,(H,31,35)(H,32,37)(H,33,36)(H,38,39)(H4,25,26,29)(H4,27,28,30);(H,6,7)/t12-,13+,14+,15+,16+;/m1./s1
InChIKey
PUCVFFIKMUADKZ-GYFKHDNESA-N
Chemical Structure
2D Structure
2D structure of Anti-Kentsin Trifluoroacetate
CAS: 73430-00-9
CID: 145707483
Formula: C24H46F3N11O8
MW: 673.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.7
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass673.34829195
Monoisotopic Mass673.34829195
Topological Polar Surface Area363 Ų
Heavy Atom Count46
Formal Charge0
Complexity930
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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