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88649-09-6 | Methionine, N-(1H-imidazol-4-ylmethyl)-
CAS No: 88649-09-6 Catalog No: AG00497G MDL No:
Product Description
Catalog Number:
AG00497G
Chemical Name:
Methionine, N-(1H-imidazol-4-ylmethyl)-
CAS Number:
88649-09-6
Molecular Formula:
C9H15N3O2S
Molecular Weight:
229.2993
IUPAC Name:
2-(1H-imidazol-5-ylmethylamino)-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C9H15N3O2S/c1-15-3-2-8(9(13)14)11-5-7-4-10-6-12-7/h4,6,8,11H,2-3,5H2,1H3,(H,10,12)(H,13,14)
InChI Key:
HEGHXIYXBNMNJT-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)O)NCc1c[nH]cn1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.298g/mol
Monoisotopic Mass:
229.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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