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148775-18-2 | L-Histidine, N-methylglycyl- (9CI)
CAS No: 148775-18-2 Catalog No: AG001L6J MDL No:
Product Description
Catalog Number:
AG001L6J
Chemical Name:
L-Histidine, N-methylglycyl- (9CI)
CAS Number:
148775-18-2
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
IUPAC Name:
3-(1H-imidazol-5-yl)-2-[[2-(methylamino)acetyl]amino]propanoic acid
InChI:
InChI=1S/C9H14N4O3/c1-10-4-8(14)13-7(9(15)16)2-6-3-11-5-12-6/h3,5,7,10H,2,4H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChI Key:
FFHVWZAZBDMXHD-UHFFFAOYSA-N
SMILES:
CNCC(=O)N[C@H](C(=O)O)Cc1nc[nH]c1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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