CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00252951" in compound.

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CFAM Mol ID CFAMM00252951
Family CFFID1874 Calcitonin gene-related peptide type 1 receptor Ligand Fvptdvgafaf Family
Superfamily CFSID1298 Beta-secretase 1 and Caspase-4 Binder Superfamily
Class CFCAD608 Class 608
External ID CHEMBL1790878 External Source CHEMBL
PubChem CID 56675127 Functional Category Bioactive
Molecule Name methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
IUPAC Name methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
InChi InChI=1S/C49H69N7O10/c1-9-30(4)42(46(62)54-41(29(2)3)47(63)65-8)55-45(61)38-20-15-23-56(38)28-39(57)35(25-31-16-11-10-12-17-31)51-44(60)37(27-40(50)58)52-43(59)36(53-48(64)66-49(5,6)7)26-32-21-22-33-18-13-14-19-34(33)24-32/h10-14,16-19,21-22,24,29-30,35-39,41-42,57H,9,15,20,23,25-28H2,1-8H3,(H2,50,58)(H,51,60)(H,52,59)(H,53,64)(H,54,62)(H,55,61)/t30-,35+,36+,37+,38?,39-,41+,42+/m1/s1
Formula C49H69N7O10 Molecular Weight 916.11
Cross Link CHEMBL1790878

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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