Kynostatin 272

CAS Registry Number®

147318-81-8

CAS Name

Kynostatin 272

Molecular Formula

C33H41N5O6S2

Molecular Mass

667.84

Cite this Page

Kynostatin 272.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147318-81-8 (retrieved 2024-11-22) (CAS RN: 147318-81-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/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

InChIKey

InChIKey=NJBBLOIWMSYVCQ-VZTVMPNDSA-N

SMILES

O(CC(N[C@H](C(N[C@H]([C@@H](C(=O)N1[C@H](C(NC(C)(C)C)=O)CSC1)O)CC2=CC=CC=C2)=O)CSC)=O)C=3C4=C(C=CC3)C=NC=C4

Canonical SMILES

O=C(NC(C(=O)NC(CC=1C=CC=CC1)C(O)C(=O)N2CSCC2C(=O)NC(C)(C)C)CSC)COC3=CC=CC=4C=NC=CC34

Other Names for this Substance

  • 4-Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[[(5-isoquinolinyloxy)acetyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-, (4R)-
  • 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*]]-
  • (4R)-N-(1,1-Dimethylethyl)-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[[(5-isoquinolinyloxy)acetyl]amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-4-thiazolidinecarboxamide
  • KNI 272
  • Kynostatin

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration