CFAM Mol ID	CFAMM00056231
Family	CFFAD398 Glucan synthesis regulatory protein Inhibitor Caspofungin Family
Superfamily	CFSAD344 Glucan synthesis regulatory protein Inhibitor Caspofungin Superfamily
Class	CFCAD323 Class 323
External ID	CHEMBL426400	External Source	CHEMBL
PubChem CID	14211525	Functional Category	Bioactive
Molecule Name	benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]propanoate
IUPAC Name	benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]propanoate
Synonyms	CHEBI:390019
InChi	InChI=1S/C31H41IN6O9/c1-16(2)26(38-29(44)23(13-25(34)41)36-27(42)21(33)14-39)30(45)37-22(12-19-9-10-24(40)20(32)11-19)28(43)35-17(3)31(46)47-15-18-7-5-4-6-8-18/h4-11,16-17,21-23,26,39-40H,12-15,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,42)(H,37,45)(H,38,44)/t17-,21-,22-,23-,26-/m0/s1
InChiKey	MWKZPFQHDOBJHV-YWCOHWSJSA-N
Formula	C31H41IN6O9	Molecular Weight	768.60
Cross Link	CHEMBL426400
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

48707 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

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