N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester

CAS Registry Number®

137863-20-8

CAS Name

N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester

Molecular Formula

C31H35N5O3

Molecular Mass

525.64

Cite this Page

N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137863-20-8 (retrieved 2024-11-21) (CAS RN: 137863-20-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H35N5O3/c1-4-5-15-28(37)36(29(22(2)3)31(38)39-21-24-11-7-6-8-12-24)20-23-16-18-25(19-17-23)26-13-9-10-14-27(26)30-32-34-35-33-30/h6-14,16-19,22,29H,4-5,15,20-21H2,1-3H3,(H,32,33,34,35)/t29-/m0/s1

InChIKey

InChIKey=VXKKFWDUSKMRNO-LJAQVGFWSA-N

SMILES

C(N([C@H](C(OCC1=CC=CC=C1)=O)[C@@H](C)C)C(CCCC)=O)C2=CC=C(C3=C(C=CC=C3)C=4NN=NN4)C=C2

Canonical SMILES

O=C(OCC=1C=CC=CC1)C(N(C(=O)CCCC)CC=2C=CC(=CC2)C=3C=CC=CC3C4=NN=NN4)C(C)C

Other Names for this Substance

  • L-Valine, N-(1-oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, phenylmethyl ester
  • L-Valine, N-(1-oxopentyl)-N-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, phenylmethyl ester
  • N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester
  • (S)-Benzyl 2-(N-((2′-(1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration