BQ-788

BQ-788
Names
	Systematic IUPAC name Sodium N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-4-methyl-L-leucyl-N-[(1R)-1-carboxylatopentyl]-1-(methoxycarbonyl)-D-tryptophanamide
Identifiers
CAS Number	156161-89-6 ;
3D model (JSmol)	Interactive image;
ChemSpider	4470569;
PubChem CID	5311031;
UNII	44OLL8XEJ4 ;
CompTox Dashboard (EPA)	DTXSID40166053 ;
	InChI InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1 Key: QCVIFBRTTLMEOV-FUKQNADPSA-M; InChI=1/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1 Key: QCVIFBRTTLMEOV-OZEMXSCFBL;
	SMILES CCCC[C@H](C(=O)[O-])NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+];
Properties
Chemical formula	C34H50N5NaO7
Molar mass	663.792 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

BQ-788 is a selective ET_B antagonist.[1]

References

Okada, M; Nishikibe, M (Winter 2002). "BQ-788, a selective endothelin ET(B) receptor antagonist". Cardiovascular Drug Reviews. 20 (1): 53–66. doi:10.1111/j.1527-3466.2002.tb00082.x. PMID 12070534.

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