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L-692,429 , CAS No.145455-23-8, Agonist of ghrelin receptor;Allosteric modulator of ghrelin receptor
Basic Description
Synonyms
AKOS040733563 | Butanamide, 3-amino-3-methyl-N-(2,3,4,5-tetrahydro-2-oxo-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-1-benzazepin-3-yl)-, (R)- | J-520074 | MK-0751 | SCHEMBL7417293 | 3-Amino-3-methyl-N-{2-oxo-1-[2''-(1H-tetrazol-5-yl)-bipheny
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST, ALLOSTERIC MODULATOR
Mechanism of action
Agonist of ghrelin receptor;Allosteric modulator of ghrelin receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Peptidomimetics
Subclass
Hybrid peptides
Intermediate Tree Nodes
Not available
Direct Parent
Hybrid peptides
Alternative Parents
N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Phenyltetrazoles and derivatives Benzazepines Beta amino acids and derivatives Azepines N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Monoalkylamines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hybrid peptide - N-acyl-alpha amino acid or derivatives - Biphenyl - Benzazepine - Beta amino acid or derivatives - Phenyltetrazole - Alpha-amino acid or derivatives - Azepine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Azole - Heteroaromatic compound - Tetrazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide
INCHI
InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1
InChIKey
SBJLJOFPWOYATP-XMMPIXPASA-N
Smiles
CC(C)(CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N
Isomeric SMILES
CC(C)(CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N
Alternate CAS
145455-23-8
PubChem CID
121879
MeSH Entry Terms
L 692,429;L 692429;L-692,429;L-692429
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
509.600 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
7
Exact Mass
509.254 Da
Monoisotopic Mass
509.254 Da
Topological Polar Surface Area
130.000 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
815.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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