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1999-41-3 | Asparagine, alanyl-
CAS No: 1999-41-3 Catalog No: AG002CFH MDL No:
Product Description
Catalog Number:
AG002CFH
Chemical Name:
Asparagine, alanyl-
CAS Number:
1999-41-3
Molecular Formula:
C7H13N3O4
Molecular Weight:
203.1958
IUPAC Name:
4-amino-2-(2-aminopropanoylamino)-4-oxobutanoic acid
InChI:
InChI=1S/C7H13N3O4/c1-3(8)6(12)10-4(7(13)14)2-5(9)11/h3-4H,2,8H2,1H3,(H2,9,11)(H,10,12)(H,13,14)
InChI Key:
CCUAQNUWXLYFRA-UHFFFAOYSA-N
SMILES:
NC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H](N)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
203.198g/mol
Monoisotopic Mass:
203.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8
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