| CAS Number | 283609-79-0 |
| Catalog Number | AG00BCVH(AGN-PC-0WOHRJ) |
| Chemical Name | LSKL, INhibitor of Thrombospondin (TSP-1) |
| IUPAC Name | 6-amino-N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]hexanamide |
| InChI | InChI=1S/C21H42N6O5/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/h12-17,28H,5-11,22-23H2,1-4H3,(H2,24,29)(H,25,32)(H,26,31)(H,27,30) |
| InChI Key | YOKXDNNIFSAXBY-UHFFFAOYSA-N |
| MDL Number | MFCD03093441 |
| Molecular Formula | C21H42N6O5 |
| Molecular Weight | 458.5954 |
| SMILES | O=C(N[C@@H](CC(C)C)C(N)=O)[C@@H](NC([C@@H](NC([C@@H](N)CC(C)C)=O)CO)=O)CCCCN |
| Synonyms | 283609-79-0,
LSKL, Inhibitor of Thrombospondin (TSP-1),
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| Complexity | 614 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.322g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.604g/mol |
| Monoisotopic Mass | 458.322g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 203A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
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