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10030-52-1 | L-Histidine, β-alanyl-3-methyl-, nitrate (1:?)
CAS No: 10030-52-1 Catalog No: AG0001J6 MDL No:MFCD00037001
Product Description
Catalog Number:
AG0001J6
Chemical Name:
L-Histidine, β-alanyl-3-methyl-, nitrate (1:?)
CAS Number:
10030-52-1
Molecular Formula:
C10H17N5O6
Molecular Weight:
303.2719
MDL Number:
MFCD00037001
IUPAC Name:
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid;nitric acid
InChI:
InChI=1S/C10H16N4O3.HNO3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11;2-1(3)4/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17);(H,2,3,4)/t8-;/m0./s1
InChI Key:
OLWOKAYJAHHSNY-QRPNPIFTSA-N
SMILES:
[O-][N+](=O)O.NCCC(=O)N[C@H](C(=O)O)Cc1cncn1C
EC Number:
233-079-7
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
303.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
303.275g/mol
Monoisotopic Mass:
303.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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