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10250-99-4 | 3-Mercapto-N-[(5-oxo-4,5-dihydrooxazol-4-ylidene)methyl]valine
CAS No: 10250-99-4 Catalog No: AG009R8D MDL No:
Product Description
Catalog Number:
AG009R8D
Chemical Name:
3-Mercapto-N-[(5-oxo-4,5-dihydrooxazol-4-ylidene)methyl]valine
CAS Number:
10250-99-4
IUPAC Name:
(2R)-2-[(5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-3-methyl-3-sulfanylbutanoic acid
InChI:
InChI=1S/C9H12N2O4S/c1-9(2,16)6(7(12)13)10-3-5-8(14)15-4-11-5/h3-4,6,14,16H,1-2H3,(H,12,13)/t6-/m1/s1
InChI Key:
LQHOYSQHFLHJFQ-ZCFIWIBFSA-N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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