Glycine, N-[(3α,5β,7α,12α)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-

CAS Registry Number®

71977-73-6

CAS Name

Glycine, N-[(3α,5β,7α,12α)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-

Molecular Formula

C26H43NO9S

Molecular Mass

545.69

Cite this Page

Glycine, N-[(3α,5β,7α,12α)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71977-73-6 (retrieved 2024-11-22) (CAS RN: 71977-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(29)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)36-37(33,34)35/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

InChIKey

InChIKey=BJPPZTDOLXZUSK-FRVQLJSFSA-N

SMILES

O(S(=O)(=O)O)[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(NCC(O)=O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(O)CNC(=O)CCC(C)C1CCC2C3C(OS(=O)(=O)O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7α,12α)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-
  • Cholane, glycine deriv.

CAS INSIGHTSTM
Targeted protein degrader structure, illustration