Kynostatin 272
(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
| Molecular Formula | C33H41N5O6S2 |
|---|---|
| Molecular Weight | 667.8 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 201.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 667.2498 |
| Heavy Atoms | 46 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 147318-81-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O |
| InChIKey | NJBBLOIWMSYVCQ-VZTVMPNDSA-N |
📖 Product Overview
Kynostatin 272 (CAS: 147318-81-8) is a chemical compound with molecular formula C33H41N5O6S2 and molecular weight 667.8 g/mol. Its IUPAC systematic name is (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide.
NJBBLOIWMSYVCQ-VZTVMPNDSA-N.
SMILES: CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O.
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