Pantethine

CAS Registry Number®

16816-67-4

CAS Name

Pantethine

Molecular Formula

C22H42N4O8S2

Molecular Mass

554.72

Cite this Page

Pantethine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16816-67-4 (retrieved 2024-11-21) (CAS RN: 16816-67-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1

InChIKey

InChIKey=DJWYOLJPSHDSAL-ROUUACIJSA-N

SMILES

[C@H](C(NCCC(NCCSSCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)=O)=O)(C(CO)(C)C)O

Canonical SMILES

O=C(NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CCNC(=O)C(O)C(C)(C)CO

Other Names for this Substance

  • Butanamide, N,N′-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethyl-, (2R,2′R)-
  • Butyramide, N,N′-[dithiobis(ethyleneiminocarbonylethylene)]bis[2,4-dihydroxy-3,3-dimethyl-, D-(+)-
  • Butanamide, N,N′-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethyl-, [R-(R*,R*)]-
  • (2R,2′R)-N,N′-[Dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethylbutanamide]
  • D-Pantethine

View All

Deleted or Replaced CAS Registry Numbers

303-05-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration