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69356-48-5 | L-Asparagine, L-asparaginyl-L-asparaginyl-
CAS No: 69356-48-5 Catalog No: AG006FUG MDL No:
Product Description
Catalog Number:
AG006FUG
Chemical Name:
L-Asparagine, L-asparaginyl-L-asparaginyl-
CAS Number:
69356-48-5
Molecular Formula:
C12H20N6O7
Molecular Weight:
360.3232
IUPAC Name:
(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C12H20N6O7/c13-4(1-7(14)19)10(22)17-5(2-8(15)20)11(23)18-6(12(24)25)3-9(16)21/h4-6H,1-3,13H2,(H2,14,19)(H2,15,20)(H2,16,21)(H,17,22)(H,18,23)(H,24,25)/t4-,5-,6-/m0/s1
InChI Key:
ACRYGQFHAQHDSF-ZLUOBGJFSA-N
SMILES:
NC(=O)C[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)[C@H](CC(=O)N)N
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
360.139g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
360.327g/mol
Monoisotopic Mass:
360.139g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
251A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.1
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