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You are searching for "CFAMM00225837" 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 | CFAMM00225837 |
| Family | CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family |
| Superfamily | CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily |
| Class | CFCCD46 Class 859 |
| External ID | CHEMBL1791339 |
External Source | CHEMBL |
| PubChem CID |
56678265 |
Functional Category |
Bioactive |
| Molecule Name |
(2S)-2-[[(3R)-4-amino-3-[[16-[[(2S)-1-[[(2R,3S)-1-[[(2R)-1-amino-2-naphthalen-1-yl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid |
| IUPAC Name |
(2S)-2-[[(3R)-4-amino-3-[[16-[[(2S)-1-[[(2R,3S)-1-[[(2R)-1-amino-2-naphthalen-1-yl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid |
| Synonyms |
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| InChi |
InChI=1S/C52H75N7O10/c1-5-34(2)45(49(66)59-52(4,51(54)69)39-29-23-27-37-26-21-22-28-38(37)39)58-48(65)46(35(3)60)57-43(62)31-20-15-13-11-9-7-6-8-10-12-14-19-30-42(61)55-40(47(53)64)33-44(63)56-41(50(67)68)32-36-24-17-16-18-25-36/h16-18,21-29,34-35,40-41,45-46,60H,5-15,19-20,30-33H2,1-4H3,(H2,53,64)(H2,54,69)(H,55,61)(H,56,63)(H,57,62)(H,58,65)(H,59,66)(H,67,68)/t34-,35?,40+,41-,45+,46-,52+/m0/s1 |
| InChiKey |
INHAWXPNNMXBHL-MIIDPHRKSA-N |
| Formula | C52H75N7O10 |
Molecular Weight | 958.19 |
| Cross Link | CHEMBL1791339 |
| 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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