Bevirimat

CAS Registry Number®

174022-42-5

CAS Name

Bevirimat

Molecular Formula

C36H56O6

Molecular Mass

584.83

Cite this Page

Bevirimat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=174022-42-5 (retrieved 2024-11-21) (CAS RN: 174022-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1

InChIKey

InChIKey=YJEJKUQEXFSVCJ-WRFMNRASSA-N

SMILES

C(O)(=O)[C@]12[C@@]([C@@]3([C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](OC(CC(C(O)=O)(C)C)=O)CC5)[H])[H])[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C(=O)O)CCC43C)C1(C)C)CC(C(=O)O)(C)C

Other Names for this Substance

  • Lup-20(29)-en-28-oic acid, 3-(3-carboxy-3-methyl-1-oxobutoxy)-, (3β)-
  • (3β)-3-(3-Carboxy-3-methyl-1-oxobutoxy)lup-20(29)-en-28-oic acid
  • O-(3,3-Dimethylsuccinyl)betulinic acid
  • YK FH312
  • PA 457

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration