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You are searching for "CFAMM00108690" 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 | CFAMM00108690 |
| Family | CFFAD856 Bacterial outer membrane Inhibitor Daptomycin Family |
| Superfamily | CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily |
| Class | CFCAD647 Class 647 |
| External ID | DNC001098 |
External Source | TTD |
| PubChem CID |
122149 |
Functional Category |
Investigative Drug |
| Molecule Name |
PD142893 |
| IUPAC Name |
(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-(4-phenylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid |
| Synonyms |
PD 142893;PD-142893;AC1L3U2Y;CHEMBL438194;CHEBI:240374;Acetyldiphenylalanyl-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan;143037-36-9;(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3-(4-phenylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid;L-Tryptophan, N-(N-(N-(N-(N-(N-acetyl-3-(1,1'-biphenyl)-4-yl-D-alanyl)-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isoleucyl)-;N-(N-(N-(N-(N-(N-Acetyl-3-(1,1'-biphenyl)-4-yl-D-alanyl)-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isoleucyl)-L-tryptophan |
| InChi |
InChI=1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1 |
| InChiKey |
IFDNLSRYZKUGIR-KXXXQFFTSA-N |
| Formula | C50H65N7O10 |
Molecular Weight | 924.09 |
| Cross Link | CHEMBL438194 |
| 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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48716 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
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