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123228-31-9 | L-Serine, N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]- (9CI)
CAS No: 123228-31-9 Catalog No: AG000K7A MDL No:
Product Description
Catalog Number:
AG000K7A
Chemical Name:
L-Serine, N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]- (9CI)
CAS Number:
123228-31-9
Molecular Formula:
C11H20N2O6
Molecular Weight:
276.2863
IUPAC Name:
3-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
InChI:
InChI=1S/C11H20N2O6/c1-6(12-10(18)19-11(2,3)4)8(15)13-7(5-14)9(16)17/h6-7,14H,5H2,1-4H3,(H,12,18)(H,13,15)(H,16,17)
InChI Key:
JHCVJNLMHHWYJF-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
276.289g/mol
Monoisotopic Mass:
276.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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