|
|
You are searching for "CFAMM00183642" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
CFAM Mol ID | CFAMM00183642 |
Family | CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family |
Superfamily | CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily |
Class | CFCID105 Class 1455 |
External ID | CHEMBL369635 |
External Source | CHEMBL |
PubChem CID |
9851886 |
Functional Category |
Bioactive |
Molecule Name |
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid |
IUPAC Name |
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid |
Synonyms |
CHEBI:390637 |
InChi |
InChI=1S/C31H41N5O8/c1-17(2)14-23(28(40)34-24(16-26(38)39)29(41)36-27(18(3)4)30(42)43)33-25(37)15-20-10-12-21(13-11-20)32-31(44)35-22-9-7-6-8-19(22)5/h6-13,17-18,23-24,27H,14-16H2,1-5H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t23-,24-,27-/m0/s1 |
InChiKey |
BRXOSTDCWWZMCS-DPZBCOQUSA-N |
Formula | C31H41N5O8 |
Molecular Weight | 611.69 |
Cross Link | CHEMBL369635 |
Structure |
|
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).
|
Last update by |
2014.08.29
|
48689 visits since 2014 .........
Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
All rights reserved.
|