6-amino-2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-sulfanylpropanoyl]amino]hexanoic acid


Chemical Name: 6-amino-2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-sulfanylpropanoyl]amino]hexanoic acid
CAS Number: 128960-73-6
Product Number: AG000YQF(AGN-PC-01S747)
Synonyms:
MDL No:
Molecular Formula: C14H26N4O6S
Molecular Weight: 378.4444

Identification/Properties


Computed Properties
Molecular Weight:
378.444g/mol
XLogP3:
-6.6
Hydrogen Bond Donor Count:
7
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
13
Exact Mass:
378.157g/mol
Monoisotopic Mass:
378.157g/mol
Topological Polar Surface Area:
186A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
476
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
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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