CFam Chemical Families Database
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You are searching for "CFAMM00094726" in compound.

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CFAM Mol ID CFAMM00094726
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 DNC014729 External Source TTD
PubChem CID 44272077 Functional Category Investigative Drug
Molecule Name Boc-D-Glu-Tyr(SO3H)-Nle-D-Lys-Trp-Nle-Asp-Phe-NH2
IUPAC Name (4R)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Synonyms CHEBI:120953;DNC014729;Boc-D-Glu-Tyr(SO3H)-Nle-D-Lys-Trp-Nle-Asp-Phe-NH2
InChi InChI=1S/C61H85N11O18S/c1-6-8-20-42(66-57(82)47(32-37-24-26-39(27-25-37)90-91(86,87)88)69-56(81)45(28-29-50(73)74)72-60(85)89-61(3,4)5)53(78)65-44(23-15-16-30-62)55(80)70-48(33-38-35-64-41-22-14-13-19-40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46(52(63)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,64H,6-9,15-16,20-21,23,28-34,62H2,1-5H3,(H2,63,77)(H,65,78)(H,66,82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,73,74)(H,75,76)(H,86,87,88)/t42-,43-,44-,45+,46-,47-,48-,49-/m0/s1
InChiKey NLVKBXFAISROGJ-LMZFJFGWSA-N
Formula C61H85N11O18S Molecular Weight 1292.46
Cross Link CHEMBL440259
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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