3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid
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3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid
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CAS No:
108312-26-1
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Formula:
C18H17N5O6S2
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Chemical Name:
3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid
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Synonyms:
Nalpha-(3-Nitro-2-pyridinesulfenyl)-N-im-tosyl-L-histidine; N|A-(3-Nitro-2-pyridinesulfenyl)-N-im-tosyl-L-histidine;
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CAS No:
3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid Basic Attributes
463.48700
463.06202563
DTXSID40398731
Computed Properties
Molecular Weight:463.5
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:463.06202563
Monoisotopic Mass:463.06202563
Topological Polar Surface Area:194
Heavy Atom Count:31
Complexity:735
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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