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L-Leucine- β-naphthylamide , CAS No.732-85-4
Basic Description
Synonyms
Leucine-beta-naphthylamide | L-leucine 2-naphthylamide | L-Leucyl-.beta.-naphthylamide hydrochloride (Salt/Mix) | Pentanamide,2-amino-4-methyl-N-2-naphthalenyl-,(2S)- | 2-Amino-4-methyl-N-(2-naphthyl)pentanamide | DTXSID20993920 | EINECS 211-990-0 | URACI
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
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.
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
(2S)-2-amino-4-methyl-N-naphthalen-2-ylpentanamide
INCHI
InChI=1S/C16H20N2O/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKey
JWHURRLUBVMKOT-HNNXBMFYSA-N
Smiles
CC(C)CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N
Isomeric SMILES
CC(C)C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N
Molecular Weight
256.34
Reaxy-Rn
2216069
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216069&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.339 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
256.158 Da
Monoisotopic Mass
256.158 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
303.000
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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