CFam Chemical Families Database
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You are searching for "CFAMM00120588" in compound.

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CFAM Mol ID CFAMM00120588
Family CFFAD1035 Thymopentin family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID DNC005910 External Source TTD
PubChem CID 11551481 Functional Category Investigative Drug
Molecule Name N-(tert-butoxycarbonyl)-tyrosyl-glycine-nitrile
IUPAC Name tert-butyl N-[(2S)-1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
Synonyms CHEMBL371893;DNC005910;N-(tert-butoxycarbonyl)-tyrosyl-glycine-nitrile
InChi InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-13(14(21)18-9-8-17)10-11-4-6-12(20)7-5-11/h4-7,13,20H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t13-/m0/s1
InChiKey ZMDCVKGQECBOGN-ZDUSSCGKSA-N
Formula C16H21N3O4 Molecular Weight 319.36
Cross Link CHEMBL371893
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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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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