CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00551901" 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 CFAMM00551901
Family CFFNP580 4-methylsulfanylbutanoate NP ZINC08790379 Family
Superfamily CFSNP189 4-methylsulfanylbutanoate NP ZINC08790379 Superfamily
Class CFCID75 Class 1425
External ID ZINC04023087 External Source ZINC
PubChem CID 7074639 Functional Category Natural Product
Molecule Name (R)-methyl 2-(1-((tert-butoxycarbonyl)amino)cyclohexanecarboxamido)-4-(methylthio)butanoate
IUPAC Name methyl (2R)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoate
Synonyms AC1OFEXS;STOCK1N-00350;MolPort-002-508-383;methyl (2R)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoate
InChi InChI=1S/C18H32N2O5S/c1-17(2,3)25-16(23)20-18(10-7-6-8-11-18)15(22)19-13(9-12-26-5)14(21)24-4/h13H,6-12H2,1-5H3,(H,19,22)(H,20,23)/t13-/m1/s1
Formula C18H32N2O5S Molecular Weight 388.52
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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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