CFam Chemical Families Database
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You are searching for "CFAMM00177815" in compound.

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CFAM Mol ID CFAMM00177815
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL47533 External Source CHEMBL
PubChem CID 44291382 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-3-carboxy-2-[(3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopyrrolidin-1-yl]propanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2S)-2-[[(2S)-3-carboxy-2-[(3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopyrrolidin-1-yl]propanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:168647
InChi InChI=1S/C28H41N7O9.C2HF3O2/c1-16(2)13-20(26(41)42)33-24(39)21(14-22(36)37)35-12-10-19(25(35)40)32-23(38)18(9-6-11-31-27(29)30)34-28(43)44-15-17-7-4-3-5-8-17;3-2(4,5)1(6)7/h3-5,7-8,16,18-21H,6,9-15H2,1-2H3,(H,32,38)(H,33,39)(H,34,43)(H,36,37)(H,41,42)(H4,29,30,31);(H,6,7)/t18-,19-,20-,21-;/m0./s1
Formula C30H42F3N7O11 Molecular Weight 733.69
Cross Link CHEMBL47533

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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