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CHEBI:192264 - L-796,778

ChEBI IDCHEBI:192264
ChEBI NameL-796,778
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of N-{[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-D-norleucyl-L-lysine with methanol. It is a partial agonist of somatostatin subtype receptor 3 (Ki = 24 nM) that exhibits anticonvulsant effects.
Last Modified27 May 2022
SubmitterKalpana P
DownloadsMolfile
FormulaC29H40N6O7
Net Charge0
Average Mass584.674
Monoisotopic Mass584.29585
SMILESCCCC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCCCN)C(=O)OC
InChIInChI=1S/C29H40N6O7/c1-3-4-12-23(26(36)32-24(28(38)42-2)13-8-9-18-30)33-29(39)34-25(19-20-10-6-5-7-11-20)27(37)31-21-14-16-22(17-15-21)35(40)41/h5-7,10-11,14-17,23-25H,3-4,8-9,12-13,18-19,30H2,1-2H3,(H,31,37)(H,32,36)(H2,33,34,39)/t23-,24+,25+/m1/s1
InChIKeyKEATTYUTWJKTRT-DSITVLBTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
somatostatin receptor agonist  An agonist that binds to and activates somatostatin receptors.
ChEBI Ontology
Outgoing Relation(s)
L-796,778 (CHEBI:192264) has role somatostatin receptor agonist (CHEBI:177023)
L-796,778 (CHEBI:192264) is a C-nitro compound (CHEBI:35716)
L-796,778 (CHEBI:192264) is a L-lysine derivative (CHEBI:25095)
L-796,778 (CHEBI:192264) is a L-phenylalanine derivative (CHEBI:84144)
L-796,778 (CHEBI:192264) is a benzenes (CHEBI:22712)
L-796,778 (CHEBI:192264) is a methyl ester (CHEBI:25248)
L-796,778 (CHEBI:192264) is a oligopeptide (CHEBI:25676)
L-796,778 (CHEBI:192264) is a secondary carboxamide (CHEBI:140325)
L-796,778 (CHEBI:192264) is a ureas (CHEBI:47857)
IUPAC Name 
methyl N-{[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-D-norleucyl-L-lysinate
Synonyms  Source
methyl (2S)-6-amino-2-[[(2R)-2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoyl]amino]hexanoateIUPAC
L796778ChemIDplus
L-796778ChEBI
methyl (2S)-6-amino-2-{[(2R)-2-({[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}amino)hexanoyl]amino}hexanoateIUPAC
L 796778ChemIDplus
Manual XrefsDatabases
4470866ChemSpider
Registry NumbersSources
CAS:217480-25-6ChemIDplus
Citations