CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00094851" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00094851
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 CHEMBL263525 External Source CHEMBL
PubChem CID 44381577 Functional Category Bioactive
Molecule Name (3S)-4-[2-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-3-[[(2S)-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]butanoic acid
IUPAC Name (3S)-4-[2-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hydrazinyl]-3-[[(2S)-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]butanoic acid
Synonyms CHEBI:382650
InChi InChI=1S/C44H56N8O9/c1-44(2,3)61-43(60)51-37(24-30-26-47-34-14-8-7-13-33(30)34)42(59)50-35(15-9-10-22-46-38(54)21-18-28-16-19-32(53)20-17-28)41(58)49-31(25-39(55)56)27-48-52-36(40(45)57)23-29-11-5-4-6-12-29/h4-8,11-14,16-21,26,31,35-37,47-48,52-53H,9-10,15,22-25,27H2,1-3H3,(H2,45,57)(H,46,54)(H,49,58)(H,50,59)(H,51,60)(H,55,56)/b21-18-/t31-,35-,36-,37-/m0/s1
Formula C44H56N8O9 Molecular Weight 840.96
Cross Link CHEMBL263525

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).

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