CFam Chemical Families Database
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You are searching for "CFAMM00055348" in compound.

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CFAM Mol ID CFAMM00055348
Family CFFAD393 Insulin receptor Ligand Insulin, Porcine Family
Superfamily CFSAD20 Peptide hormone receptor bindng peptide Superfamily
Class CFCAD20 Class 20
External ID CHEMBL216265 External Source CHEMBL
PubChem CID 44269158 Functional Category Bioactive
Molecule Name (2S)-2-[[(2R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Synonyms
InChi InChI=1S/C49H71N13O9/c1-6-30(4)41(46(68)58-36(25-33-26-53-28-55-33)47(69)62-22-14-20-38(62)44(66)59-37(48(70)71)24-32-17-11-8-12-18-32)61-43(65)35(23-31-15-9-7-10-16-31)57-45(67)40(29(2)3)60-42(64)34(56-39(63)27-52-5)19-13-21-54-49(50)51/h7-12,15-18,26,28-30,34-38,40-41,52H,6,13-14,19-25,27H2,1-5H3,(H,53,55)(H,56,63)(H,57,67)(H,58,68)(H,59,66)(H,60,64)(H,61,65)(H,70,71)(H4,50,51,54)/t30-,34-,35-,36-,37-,38+,40-,41-/m0/s1
InChiKey FCSQAKTYMZZIGC-ISZWGUMJSA-N
Formula C49H71N13O9 Molecular Weight 986.17
Cross Link CHEMBL216265
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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