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142198-65-0 | L-Histidine, N-acetyl-1-(tetrahydro-5-hydroxy-2-pentyl-3-furanyl)-
CAS No: 142198-65-0 Catalog No: AG001HY8 MDL No:
Product Description
Catalog Number:
AG001HY8
Chemical Name:
L-Histidine, N-acetyl-1-(tetrahydro-5-hydroxy-2-pentyl-3-furanyl)-
CAS Number:
142198-65-0
Molecular Formula:
C17H27N3O5
Molecular Weight:
353.4134
IUPAC Name:
2-acetamido-3-[1-(5-hydroxy-2-pentyloxolan-3-yl)imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C17H27N3O5/c1-3-4-5-6-15-14(8-16(22)25-15)20-9-12(18-10-20)7-13(17(23)24)19-11(2)21/h9-10,13-16,22H,3-8H2,1-2H3,(H,19,21)(H,23,24)
InChI Key:
INPAKWNFLOQYEI-UHFFFAOYSA-N
SMILES:
CCCCCC1OC(CC1n1cnc(c1)C[C@@H](C(=O)O)NC(=O)C)O
Properties
Complexity:
462
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:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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