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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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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