3′-[[(2S)-2-Amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyladenosine

CAS Registry Number®

3598-42-3

CAS Name

3′-[[(2S)-2-Amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyladenosine

Molecular Formula

C21H27N7O5

Molecular Mass

457.48

Cite this Page

3′-[[(2S)-2-Amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyladenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3598-42-3 (retrieved 2025-01-07) (CAS RN: 3598-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13-,14+,15+,17+,21+/m0/s1

InChIKey

InChIKey=NVZJDPXVSWFFJJ-YXDKPKCJSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N(C)C)N=CN3)O[C@H](CO)[C@H]1NC([C@H](CC4=CC=C(O)C=C4)N)=O

Canonical SMILES

O=C(NC1C(O)C(OC1CO)N2C=NC=3C2=NC=NC3N(C)C)C(N)CC4=CC=C(O)C=C4

Other Names for this Substance

  • Adenosine, 3′-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-
  • Adenosine, 3′-(α-amino-p-hydroxyhydrocinnamamido)-3′-deoxy-N,N-dimethyl-, L-
  • Adenosine, 3′-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-, (S)-
  • 3′-[[(2S)-2-Amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyladenosine
  • O-Demethylpuromycin

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