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LSKL TFA

CAT: 0127-BUP01288-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01288-03Size:10 mg
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CAS Number
2828433-17-4
Synonyms
H-Leu-Ser-Lys-Leu-NH2 TFA, LSKL, Inhibitor of Thrombospondin (TSP-1) (TFA), H-Leu-Ser-Lys-Leu-NH2 TFA (283609-79-0 TFA)
Purity
=98%
Smiles
O=C(O)C(F)(F)F.CC(C)C[C@@H](C(N)=O)NC([C@H](CCCCN)NC([C@H](CO)NC([C@@H](N)CC(C)C)=O)=O)=O

Chemical Information

LSKL, Inhibitor of Thrombospondin (TSP-1) (TFA)
CAS Number2828433-17-4
PubChem CID145707571
IUPAC Name(2S)-6-amino-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanamide;2,2,2-trifluoroacetic acid
Molecular FormulaC23H43F3N6O7
Molecular Weight572.6
Topological Polar Surface Area240
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity697
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C21H42N6O5.C2HF3O2/c1-12(2)9-14(23)19(30)27-17(11-28)21(32)25-15(7-5-6-8-22)20(31)26-16(18(24)29)10-13(3)4;3-2(4,5)1(6)7/h12-17,28H,5-11,22-23H2,1-4H3,(H2,24,29)(H,25,32)(H,26,31)(H,27,30);(H,6,7)/t14-,15-,16-,17-;/m0./s1
InChIKey
FULCVSARTMWAGA-SITLLQIKSA-N
Chemical Structure
2D Structure
2D structure of LSKL, Inhibitor of Thrombospondin (TSP-1) (TFA)
CAS: 2828433-17-4
CID: 145707571
Formula: C23H43F3N6O7
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass572.31453222
Monoisotopic Mass572.31453222
Topological Polar Surface Area240 Ų
Heavy Atom Count39
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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