3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid

CAS Registry Number®

81983-26-8

CAS Name

3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid

Molecular Formula

C24H34O4S

Molecular Mass

418.59

Cite this Page

3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81983-26-8 (retrieved 2024-11-22) (CAS RN: 81983-26-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-179 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C24H34O4S/c1-14(25)16-6-7-17-15-4-5-19-22(29-13-10-21(27)28)20(26)9-12-24(19,3)18(15)8-11-23(16,17)2/h15-18H,4-13H2,1-3H3,(H,27,28)/t15-,16+,17-,18-,23+,24+/m0/s1

InChIKey

InChIKey=QTJOSAPWTKBFKW-YDUFECBISA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CCC1=C(SCCC(O)=O)C(=O)CC2)[H])[H]

Canonical SMILES

O=C(O)CCSC=1C(=O)CCC2(C1CCC3C2CCC4(C)C(C(=O)C)CCC34)C

Other Names for this Substance

  • Propanoic acid, 3-[(3,20-dioxopregn-4-en-4-yl)thio]-
  • 3-[(3,20-Dioxopregn-4-en-4-yl)thio]propanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration