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CHEBI:138409 - N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2

ChEBI IDCHEBI:138409
ChEBI NameN-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2
Stars
ASCII NameN-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2
DefinitionA hexapeptide consisting of N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]carbonyl}glycine, D-arginine, glycine, D-α-aspartic acid, D-α-aspartic acid, and D-α-aspartic 1-amide residues coupled in sequence. An angiotensin II type 2 receptor agonist.
Last Modified11 September 2017
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC37H46N14O14S
Net Charge0
Average Mass942.926
Monoisotopic Mass942.30386
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(N)=O)nn1
InChIInChI=1S/C37H46N14O14S/c1-16-29(66-37(44-16)49-31(61)17-6-3-2-4-7-17)19-10-23(51-50-19)33(63)43-14-24(52)45-18(8-5-9-41-36(39)40)32(62)42-15-25(53)46-21(12-27(56)57)34(64)48-22(13-28(58)59)35(65)47-20(30(38)60)11-26(54)55/h2-4,6-7,10,18,20-22H,5,8-9,11-15H2,1H3,(H2,38,60)(H,42,62)(H,43,63)(H,45,52)(H,46,53)(H,47,65)(H,48,64)(H,50,51)(H,54,55)(H,56,57)(H,58,59)(H4,39,40,41)(H,44,49,61)/t18-,20-,21-,22-/m1/s1
InChIKeyOPFJDXRVMFKJJO-ZHHKINOHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
angiotensin receptor agonist  A hormone antagonist that acts at angiotensin receptors.
Application:
angiotensin receptor agonist  A hormone antagonist that acts at angiotensin receptors.
ChEBI Ontology
Outgoing Relation(s)
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2 (CHEBI:138409) has role angiotensin receptor agonist (CHEBI:138416)
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2 (CHEBI:138409) is a 1,3-thiazoles (CHEBI:38418)
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2 (CHEBI:138409) is a benzamides (CHEBI:22702)
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2 (CHEBI:138409) is a biaryl (CHEBI:64459)
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2 (CHEBI:138409) is a oligopeptide (CHEBI:25676)
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-G-dR-G-dD-dD-dD-NH2 (CHEBI:138409) is a pyrazoles (CHEBI:26410)
IUPAC Name 
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]carbonyl}glycyl-D-arginylglycyl-D-α-aspartyl-D-α-aspartyl-D-α-asparagine
Synonyms  Source
compound 21ChEBI
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-Gly-D-Arg-Gly-D-α-Asp-D-α-Asp-D-α-Asp-NH2ChEBI
cmpd21ChEBI
N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-pyrazol-5-yl]carbonyl}-GdRGdDdDdD-NH2ChEBI
Registry NumbersSources
Reaxys:25999889Reaxys
Citations