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You are searching for "CFAMM00225916" 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 | CFAMM00225916 |
Family | CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family |
Superfamily | CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily |
Class | CFCCD46 Class 859 |
External ID | CHEMBL177080 |
External Source | CHEMBL |
PubChem CID |
44386506 |
Functional Category |
Bioactive |
Molecule Name |
methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate |
IUPAC Name |
methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate |
Synonyms |
CHEBI:394089 |
InChi |
InChI=1S/C41H63N5O8/c1-26(2)21-32(37(49)45-35(28(5)6)38(50)53-10)43-39(51)46(24-30-19-15-12-16-20-30)25-34(47)31(23-29-17-13-11-14-18-29)42-36(48)33(22-27(3)4)44-40(52)54-41(7,8)9/h11-20,26-28,31-35,47H,21-25H2,1-10H3,(H,42,48)(H,43,51)(H,44,52)(H,45,49)/t31-,32-,33-,34+,35-/m0/s1 |
InChiKey |
WAQIMKACBOJZPE-ISWDJSIVSA-N |
Formula | C41H63N5O8 |
Molecular Weight | 753.97 |
Cross Link | CHEMBL177080 |
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. |
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).
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Last update by |
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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