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84668-58-6 | Glycine, N-(N-L-asparaginyl-L-alanyl)-
CAS No: 84668-58-6 Catalog No: AG0050EY MDL No:
Product Description
Catalog Number:
AG0050EY
Chemical Name:
Glycine, N-(N-L-asparaginyl-L-alanyl)-
CAS Number:
84668-58-6
Molecular Formula:
C9H16N4O5
Molecular Weight:
260.2471
IUPAC Name:
2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]acetic acid
InChI:
InChI=1S/C9H16N4O5/c1-4(8(17)12-3-7(15)16)13-9(18)5(10)2-6(11)14/h4-5H,2-3,10H2,1H3,(H2,11,14)(H,12,17)(H,13,18)(H,15,16)/t4-,5-/m0/s1
InChI Key:
HZPSDHRYYIORKR-WHFBIAKZSA-N
SMILES:
OC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
260.25g/mol
Monoisotopic Mass:
260.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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