mdl-201053 (Q27252739)

CATHEPSIN B INHIBITOR (English)

14 October 2016

stereoisomer of

(D-alanine)-mdl-201053

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₃FN₂O₄

1 reference

CATHEPSIN B INHIBITOR (English)

14 October 2016

canonical SMILES

CC(C(=O)CF)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

1 reference

CATHEPSIN B INHIBITOR (English)

14 October 2016

isomeric SMILES

C[C@@H](C(=O)CF)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

1 reference

CATHEPSIN B INHIBITOR (English)

non-structural protein 5 [SARS-CoV-2]

14 October 2016

inhibitor of

1 reference

stated in

Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-Throughput Screening

subject has role

cysteine proteinase inhibitors

1 reference

stated in

Medical Subject Headings

MeSH descriptor ID

C057383

InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1

15 March 2018

Identifiers

InChI

1 reference

CATHEPSIN B INHIBITOR (English)

ASXVEBPEZMSPHB-YJBOKZPZSA-N

14 October 2016

InChIKey

1 reference

CATHEPSIN B INHIBITOR (English)

reason for deprecated rank

14 October 2016

CAS Registry Number

105637-38-5

cannot be confirmed by other sources

0 references

1 reference

Nalpha-[(Benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxo-2-butanyl]-L-phenylalaninamide (English)

14 October 2016

1 reference

CATHEPSIN B INHIBITOR (English)

14 October 2016

1 reference

Global Substance Registration System

CHEMBL2402203 (English)

14 October 2016

1 reference

1 reference

Medical Subject Headings

14 March 2018

2 references

UNII

1Q2Z3U96CG

mdl-201053 (English)