CFam Chemical Families Database
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You are searching for "CFAMM00025208" in compound.

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CFAM Mol ID CFAMM00025208
Family CFFAD145 HIV protease Inhibitor Indinavir Family
Superfamily CFSAD136 HIV protease Inhibitor Indinavir Superfamily
Class CFCAD134 Class 134
External ID CHEMBL292901 External Source CHEMBL
PubChem CID 44304916 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)acetyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC Name (2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)acetyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Synonyms CHEBI:199042
InChi InChI=1S/C48H60N8O9/c1-6-27(4)42(46(62)55-38(48(64)65)22-31-24-50-35-18-12-11-15-32(31)35)56-40(59)25-51-44(60)37(23-39(49)58)53-45(61)36(21-26(2)3)54-47(63)43(52-28(5)57)41-33-16-9-7-13-29(33)19-20-30-14-8-10-17-34(30)41/h7-18,24,26-27,36-38,41-43,50H,6,19-23,25H2,1-5H3,(H2,49,58)(H,51,60)(H,52,57)(H,53,61)(H,54,63)(H,55,62)(H,56,59)(H,64,65)/t27-,36-,37-,38-,42-,43+/m0/s1
Formula C48H60N8O9 Molecular Weight 893.04
Cross Link CHEMBL292901

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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