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2488-14-4 | L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS No: 2488-14-4 Catalog No: AG002PQK MDL No:MFCD00167635
Product Description
Catalog Number:
AG002PQK
Chemical Name:
L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number:
2488-14-4
Molecular Formula:
C12H19N3O4
Molecular Weight:
269.2970
MDL Number:
MFCD00167635
IUPAC Name:
methyl (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)5-8-6-13-7-14-8/h6-7,9H,5H2,1-4H3,(H,13,14)(H,15,17)/t9-/m0/s1
InChI Key:
RWEVEEORUORBAX-VIFPVBQESA-N
SMILES:
COC(=O)[C@H](Cc1nc[nH]c1)NC(=O)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.301g/mol
Monoisotopic Mass:
269.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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