CFam Chemical Families Database
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You are searching for "CFAMM00295021" 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 CFAMM00295021
Family CFFID3631 Genome polyprotein Inhibitor Acasp-glu-dif-glu-cha-cys Family
Superfamily CFSAD173 Vasopressin V1a receptor Ligand Felypressin Superfamily
Class CFCAD168 Class 168
External ID DNC012779 External Source TTD
PubChem CID 484562 Functional Category Investigative Drug
Molecule Name AcDif-Glu-Cha-Cys
IUPAC Name (4S)-4-[[(2S)-2-acetamido-3,3-diphenylpropanoyl]amino]-5-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Synonyms AC1LAAI7;Ac-Dif-Glu-Cha-Cys-OH;CHEMBL62433;CHEBI:199380;DNC012779;AcDif(3,3-diphenylalanine)-Glu-Cha(beta-cyclohexylalanine)-Cys;(4S)-4-[[(2S)-2-acetamido-3,3-diphenylpropanoyl]amino]-5-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChi InChI=1S/C34H44N4O8S/c1-21(39)35-30(29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)33(44)36-25(17-18-28(40)41)31(42)37-26(19-22-11-5-2-6-12-22)32(43)38-27(20-47)34(45)46/h3-4,7-10,13-16,22,25-27,29-30,47H,2,5-6,11-12,17-20H2,1H3,(H,35,39)(H,36,44)(H,37,42)(H,38,43)(H,40,41)(H,45,46)/t25-,26-,27-,30-/m0/s1
Formula C34H44N4O8S Molecular Weight 668.80
Cross Link CHEMBL62433

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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National University of Singapore, Singapore

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