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158691-82-8 | L-Asparagine, L-histidyl-
CAS No: 158691-82-8 Catalog No: AG001QRA MDL No:
Product Description
Catalog Number:
AG001QRA
Chemical Name:
L-Asparagine, L-histidyl-
CAS Number:
158691-82-8
Molecular Formula:
C10H15N5O4
Molecular Weight:
269.2572
IUPAC Name:
(2S)-4-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H15N5O4/c11-6(1-5-3-13-4-14-5)9(17)15-7(10(18)19)2-8(12)16/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)/t6-,7-/m0/s1
InChI Key:
WSDOHRLQDGAOGU-BQBZGAKWSA-N
SMILES:
N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)Cc1c[nH]cn1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
269.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
269.261g/mol
Monoisotopic Mass:
269.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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