CFam Chemical Families Database
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You are searching for "CFAMM00439559" in compound.

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CFAM Mol ID CFAMM00439559
Family CFFBM16838 KiSS-1 receptor ligand N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(hydroxymethyl)benzamide family
Superfamily CFSBM5268 KiSS-1 receptor and Neutrophil elastase Binder Superfamily
Class CFCBM330 Class 3380
External ID CHEMBL415004 External Source CHEMBL
PubChem CID 16736191 Functional Category Bioactive
Molecule Name N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(hydroxymethyl)benzamide
IUPAC Name N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(hydroxymethyl)benzamide
Synonyms CHEBI:482388
InChi InChI=1S/C42H54N10O7/c1-25(2)19-34(49-36(54)23-48-39(57)35(20-26-9-4-3-5-10-26)52-38(56)28-16-14-27(24-53)15-17-28)41(59)50-32(13-8-18-46-42(44)45)40(58)51-33(37(43)55)21-29-22-47-31-12-7-6-11-30(29)31/h3-7,9-12,14-17,22,25,32-35,47,53H,8,13,18-21,23-24H2,1-2H3,(H2,43,55)(H,48,57)(H,49,54)(H,50,59)(H,51,58)(H,52,56)(H4,44,45,46)/t32-,33-,34-,35-/m0/s1
InChiKey GCPUECKREORHCQ-BBACVFHCSA-N
Formula C42H54N10O7 Molecular Weight 810.94
Cross Link CHEMBL415004
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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National University of Singapore, Singapore


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