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100385-49-7 | L-Alanine, N-(N-L-lysyl-L-seryl)- (9CI)
CAS No: 100385-49-7 Catalog No: AG0001V2 MDL No:
Product Description
Catalog Number:
AG0001V2
Chemical Name:
L-Alanine, N-(N-L-lysyl-L-seryl)- (9CI)
CAS Number:
100385-49-7
Molecular Formula:
C12H24N4O5
Molecular Weight:
304.3428
IUPAC Name:
2-[[2-(2,6-diaminohexanoylamino)-3-hydroxypropanoyl]amino]propanoic acid
InChI:
InChI=1S/C12H24N4O5/c1-7(12(20)21)15-11(19)9(6-17)16-10(18)8(14)4-2-3-5-13/h7-9,17H,2-6,13-14H2,1H3,(H,15,19)(H,16,18)(H,20,21)
InChI Key:
HKXSZKJMDBHOTG-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CO)N
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.175g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
304.347g/mol
Monoisotopic Mass:
304.175g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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