CFam Chemical Families Database
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You are searching for "CFAMM00094748" in compound.

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CFAM Mol ID CFAMM00094748
Family CFFAD678 Gastrin/cholecystokinin type B receptor ligand oligopeptide Ceruletide Family
Superfamily CFSAD574 peptide hormone ligand peptide Ceruletide Lanreotide Superfamily
Class CFCAD85 Class 85
External ID 22816228 External Source PubChem
PubChem CID 22816228 Functional Category Patent Compound
Molecule Name
IUPAC Name benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Synonyms
InChi InChI=1S/C60H78N12O11/c1-5-63-57(79)51-23-15-29-72(51)58(80)46(22-14-28-64-59(61)62)67-54(76)47(30-37(2)3)68-52(74)38(4)66-53(75)48(31-39-24-26-43(27-25-39)82-35-40-16-8-6-9-17-40)69-56(78)50(34-73)70-55(77)49(32-42-33-65-45-21-13-12-20-44(42)45)71-60(81)83-36-41-18-10-7-11-19-41/h6-13,16-21,24-27,33,37-38,46-51,65,73H,5,14-15,22-23,28-32,34-36H2,1-4H3,(H,63,79)(H,66,75)(H,67,76)(H,68,74)(H,69,78)(H,70,77)(H,71,81)(H4,61,62,64)/t38-,46+,47+,48+,49+,50+,51+/m1/s1
InChiKey GPARPQBFUNYDJF-RKOYXIPMSA-N
Formula C60H78N12O11 Molecular Weight 1143.34
Cross Link
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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