Benzenebutanoic acid, a-[(5-amino-1-carboxypentyl)amino]-,[S-(R*,R*)]-


Chemical Name: Benzenebutanoic acid, a-[(5-amino-1-carboxypentyl)amino]-,[S-(R*,R*)]-
CAS Number: 138247-43-5
Product Number: AG0018DP(AGN-PC-0PMEU6)
Synonyms:
MDL No:
Molecular Formula: C16H24N2O4
Molecular Weight: 308.3728

Identification/Properties


Computed Properties
Molecular Weight:
308.37g/mol
XLogP3:
-3.1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
11
Exact Mass:
308.173607g/mol
Monoisotopic Mass:
308.173607g/mol
Topological Polar Surface Area:
113Ų
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
343
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The (S)-6-Amino-2-(((S)-1-carboxy-3-phenylpropyl)amino)hexanoic acid is a key component in chemical synthesis, specifically in the production of peptide-based molecules. This compound plays a crucial role in peptide bond formation, serving as a chiral building block that allows for the creation of complex and biologically relevant structures. By incorporating (S)-6-Amino-2-(((S)-1-carboxy-3-phenylpropyl)amino)hexanoic acid into peptide sequences, chemists can tailor the properties and functions of the resulting molecules, making it a valuable tool in the development of pharmaceuticals and bioactive compounds.