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113411-19-1 | L-Alanine, N-acetyl-L-alanylglycyl- (9CI)
CAS No: 113411-19-1 Catalog No: AG0008GZ MDL No:
Product Description
Catalog Number:
AG0008GZ
Chemical Name:
L-Alanine, N-acetyl-L-alanylglycyl- (9CI)
CAS Number:
113411-19-1
Molecular Formula:
C10H17N3O5
Molecular Weight:
259.2591
IUPAC Name:
2-[[2-(2-acetamidopropanoylamino)acetyl]amino]propanoic acid
InChI:
InChI=1S/C10H17N3O5/c1-5(12-7(3)14)9(16)11-4-8(15)13-6(2)10(17)18/h5-6H,4H2,1-3H3,(H,11,16)(H,12,14)(H,13,15)(H,17,18)
InChI Key:
SZPZOUHFBDKVRD-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)C)CNC(=O)[C@@H](NC(=O)C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
259.262g/mol
Monoisotopic Mass:
259.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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