OntologiesslmclassesCHEBI:176977   
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L-779976Imported
http://purl.obolibrary.org/obo/CHEBI_176977

A member of the class of indoles that is (betaS)-beta-methyl-D-tryptophan in which the primary amino group undergoes formal condensation with the carboxy group of 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxylic acid and the carboxy group undegoes formal condensation with the amino group of (1R,3S)-cyclohexane-1,3-diyldimethanamine. It is a selective nonpeptidic agonist of the somatostatin subtype-2 (SST2) receptor with Ki of 0.05 nM.

Defined bychebi
Exact Synonyms
(betaS)-N-{[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}-beta-methyl-Nalpha-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]carbonyl}-D-tryptophanamide
Related Synonyms
L 779,976
L 779976
L-779,976
L779976
N-[(2R,3S)-1-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxamide
class Information
charge

0

formula

C33H43N7O3

has_obo_namespace

chebi_ontology

inchikey

DDVPVAOEMZRZQU-CXDLDTBJSA-N

inchi

InChI=1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36,41)(H,37,43)(H,38,42)/t21-,22-,23+,30+/m0/s1

in_subset

3_STAR

mass

585.753

monoisotopicmass

585.34274

smiles

C[C@H]([C@@H](NC(=O)N1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C(=O)NC[C@@H]1CCC[C@H](CN)C1)C1=CNC2=C1C=CC=C2

class Relations