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14608-79-8 | L-Asparagine, L-glutaminyl-
CAS No: 14608-79-8 Catalog No: AG001DO5 MDL No:
Product Description
Catalog Number:
AG001DO5
Chemical Name:
L-Asparagine, L-glutaminyl-
CAS Number:
14608-79-8
Molecular Formula:
C9H16N4O5
Molecular Weight:
260.2471
IUPAC Name:
(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C9H16N4O5/c10-4(1-2-6(11)14)8(16)13-5(9(17)18)3-7(12)15/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)/t4-,5-/m0/s1
InChI Key:
DXJZITDUDUPINW-WHFBIAKZSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
260.25g/mol
Monoisotopic Mass:
260.112g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9
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