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You are searching for "CFAMM00225910" 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 | CFAMM00225910 |
| Family | CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family |
| Superfamily | CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily |
| Class | CFCCD46 Class 859 |
| External ID | CHEMBL98238 |
External Source | CHEMBL |
| PubChem CID |
11083054 |
Functional Category |
Bioactive |
| Molecule Name |
SureCN8270082 |
| IUPAC Name |
tert-butyl N-[(2S)-1-[[(2S)-4-amino-1-[[(4S,5S,7R)-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate |
| Synonyms |
Substrate-based BACE-1 inhibitor, 16 |
| InChi |
InChI=1S/C36H60N6O8/c1-20(2)16-25(27(43)17-23(7)31(45)41-29(21(3)4)33(47)38-19-24-14-12-11-13-15-24)39-32(46)26(18-28(37)44)40-34(48)30(22(5)6)42-35(49)50-36(8,9)10/h11-15,20-23,25-27,29-30,43H,16-19H2,1-10H3,(H2,37,44)(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)/t23-,25+,26+,27+,29+,30+/m1/s1 |
| InChiKey |
VBXFKHHFSHCRHR-CPPNCWEISA-N |
| Formula | C36H60N6O8 |
Molecular Weight | 704.90 |
| Cross Link | CHEMBL98238 |
| Structure |
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Statistics of CFAM Database |
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
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How to cite our database |
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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).
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Last update by |
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2014.08.29
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Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
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