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142198-64-9 | L-Histidine, N-acetyl-1-[2-hydroxy-1-(2-oxoethyl)heptyl]-
CAS No: 142198-64-9 Catalog No: AG001HXI MDL No:
Product Description
Catalog Number:
AG001HXI
Chemical Name:
L-Histidine, N-acetyl-1-[2-hydroxy-1-(2-oxoethyl)heptyl]-
CAS Number:
142198-64-9
Molecular Formula:
C17H27N3O5
Molecular Weight:
353.4134
IUPAC Name:
2-acetamido-3-[1-(4-hydroxy-1-oxononan-3-yl)imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C17H27N3O5/c1-3-4-5-6-16(23)15(7-8-21)20-10-13(18-11-20)9-14(17(24)25)19-12(2)22/h8,10-11,14-16,23H,3-7,9H2,1-2H3,(H,19,22)(H,24,25)
InChI Key:
YAVCCAQUEGGOSU-UHFFFAOYSA-N
SMILES:
CCCCCC(C(n1cnc(c1)C[C@@H](C(=O)O)NC(=O)C)CC=O)O
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.419g/mol
Monoisotopic Mass:
353.195g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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