CFam Chemical Families Database
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You are searching for "CFAMM00295012" 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.

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CFAM Mol ID CFAMM00295012
Family CFFID3631 Genome polyprotein Inhibitor Acasp-glu-dif-glu-cha-cys Family
Superfamily CFSAD173 Vasopressin V1a receptor Ligand Felypressin Superfamily
Class CFCAD168 Class 168
External ID CHEMBL263598 External Source CHEMBL
PubChem CID 11115744 Functional Category Bioactive
Molecule Name (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-(benzylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
Synonyms CHEBI:291692
InChi InChI=1S/C50H63N7O13S/c1-30(58)52-38(27-42(63)64)49(69)53-36(23-25-41(61)62)47(67)57-44(43(33-18-10-4-11-19-33)34-20-12-5-13-21-34)50(70)54-35(22-24-40(59)60)46(66)55-37(26-31-14-6-2-7-15-31)48(68)56-39(29-71)45(65)51-28-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-39,43-44,71H,2,6-7,14-15,22-29H2,1H3,(H,51,65)(H,52,58)(H,53,69)(H,54,70)(H,55,66)(H,56,68)(H,57,67)(H,59,60)(H,61,62)(H,63,64)/t35-,36-,37-,38-,39-,44-/m0/s1
InChiKey ACPKTBUAADMPRF-JNLIVQRCSA-N
Formula C50H63N7O13S Molecular Weight 1002.14
Cross Link CHEMBL263598
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
 

 

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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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