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123228-30-8 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-
CAS No: 123228-30-8 Catalog No: AG000K7B MDL No:
Product Description
Catalog Number:
AG000K7B
Chemical Name:
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-
CAS Number:
123228-30-8
Molecular Formula:
C12H20N2O7
Molecular Weight:
304.2964
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanedioic acid
InChI:
InChI=1S/C12H20N2O7/c1-6(13-11(20)21-12(2,3)4)9(17)14-7(10(18)19)5-8(15)16/h6-7H,5H2,1-4H3,(H,13,20)(H,14,17)(H,15,16)(H,18,19)
InChI Key:
JAYNJSPXKVDWOQ-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.299g/mol
Monoisotopic Mass:
304.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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