| |
|
You are searching for "CFAMM00257240" in compound.
Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
| CFAM Mol ID | CFAMM00257240 |
| Family | CFFID2017 Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme Family |
| Superfamily | CFSCD668 Litronesib Superfamily |
| Class | CFCCD472 Class 1285 |
| External ID | CHEMBL319107 |
External Source | CHEMBL |
| PubChem CID |
44330357 |
Functional Category |
Bioactive |
| Molecule Name |
S-ethyl (3S)-3-[[(6S,8aS)-2-benzylsulfonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carbonyl]amino]-3-(4-aminocyclohexyl)-2-oxopropanethioate |
| IUPAC Name |
S-ethyl (3S)-3-[[(6S,8aS)-2-benzylsulfonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carbonyl]amino]-3-(4-aminocyclohexyl)-2-oxopropanethioate |
| Synonyms |
CHEBI:261613 |
| InChi |
InChI=1S/C26H36N4O6S2/c1-2-37-26(34)24(32)23(18-8-10-19(27)11-9-18)28-25(33)21-13-12-20-14-29(15-22(31)30(20)21)38(35,36)16-17-6-4-3-5-7-17/h3-7,18-21,23H,2,8-16,27H2,1H3,(H,28,33)/t18?,19-,20-,21-,23-/m0/s1 |
| InChiKey |
QMBNGZONHSLFNY-MYKLWJCRSA-N |
| Formula | C26H36N4O6S2 |
Molecular Weight | 564.72 |
| Cross Link | CHEMBL319107 |
| Structure |
|
Statistics of CFAM Database |
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
|
How to cite our database |
|
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering.
Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
|
Last update by |
|
2014.08.29
|
48701 visits since 2014 .........
Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
All rights reserved.
|
