N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine

CAS Registry Number®

1201918-16-2
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CAS Name

N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine

Molecular Formula

C26H39D4NO5

Cite this Page

N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1201918-16-2 (retrieved 2024-09-09) (CAS RN: 1201918-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/i8D2,12D2

InChIKey

InChIKey=GHCZAUBVMUEKKP-PKIQRPOYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Glycine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-
  • N-[(3α,5β,7α)-3,7-Dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]glycine