Kynostatin 272 [MeSH]

Molecular Formula: C33H41N5O6S2


InChI: InChI=1/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1/f/h35-37H

InChIKey: InChIKey=NJBBLOIWMSYVCQ-UXWYTSNCDF
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

Names:
    CCRIS 7458
    DRG-0219
    kni-272
    Kynostatin 272 [MeSH]
    Kynostatin 272
    Kynostatin 272 [MeSH]
    NSC 651714
    (4S)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
    147318-81-8
    4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-, (4R-(3(2S*,3S*(R*)),4R*))-

Registries:
    PubChem CID 60927
    PubChem ID 197153