CFam Chemical Families Database
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You are searching for "CFAMM00273663" in compound.

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CFAM Mol ID CFAMM00273663
Family CFFID2681 Substance-P receptor Ligand [sar9,met(o2)11]-sp Family
Superfamily CFSID1924 Substance-P receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCID1180 Class 2530
External ID CHEMBL1651026 External Source CHEMBL
PubChem CID 163829 Functional Category Bioactive
Molecule Name Bhsar-SP
IUPAC Name (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Synonyms Substance P, sar(9) sulfone;(Sar(9))SP sulfone;9-Sar-substance P sulfone;Sarcosyl(9)-substance P sulfone;9-Sar-11-met(O2)-substance P;(Sar(9),met(O2)(11))SP;Substance P, sar(9)-met(O2)(11)-;9-Sarcosyl-11-methionine(O2)-substance P;Bolton hunter-9-sar-11-met(02)-substance P;Substance P, sarcosyl(9)-methionine(O2)(11)-
InChi InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
InChiKey OUPXSLGGCPUZJJ-SARDKLJWSA-N
Formula C64H100N18O15S Molecular Weight 1393.66
Cross Link CHEMBL1651026
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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