CFam Chemical Families Database
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You are searching for "CFAMM00303693" in compound.

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CFAM Mol ID CFAMM00303693
Family CFFID4178 Somatostatin receptor type 1 and Somatostatin receptor type 2 Ligand Cytotoxinpeptide Conjugate Family
Superfamily CFSAD806 ostatin receptor 5 Ligand Pasireotide Diaspartate Superfamily
Class CFCAD546 Class 546
External ID CHEMBL410392 External Source CHEMBL
PubChem CID 44303447 Functional Category Bioactive
Molecule Name (2S,3R)-2-[[(4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
IUPAC Name (2S,3R)-2-[[(4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
Synonyms CHEBI:195822
InChi InChI=1S/C63H85N13O21S2/c1-35(77)54-62(95)71-48(61(94)73-55(36(2)78)63(96)97)34-99-98-33-47(70-57(90)44(24-37-10-4-3-5-11-37)66-49(80)28-75(30-51(83)84)22-20-74(29-50(81)82)21-23-76(31-52(85)86)32-53(87)88)60(93)68-45(25-38-15-17-40(79)18-16-38)58(91)69-46(26-39-27-65-42-13-7-6-12-41(39)42)59(92)67-43(56(89)72-54)14-8-9-19-64/h3-7,10-13,15-18,27,35-36,43-48,54-55,65,77-79H,8-9,14,19-26,28-34,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,90)(H,71,95)(H,72,89)(H,73,94)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,96,97)/t35-,36-,43+,44-,45+,46-,47+,48-,54-,55+/m1/s1
InChiKey SVNBDRMEJFHIAK-SQXGXJNVSA-N
Formula C63H85N13O21S2 Molecular Weight 1424.55
Cross Link CHEMBL410392
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
 

 

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Professor in Department of Pharmacy
National University of Singapore, Singapore


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