S-Methyl-L-thiocitrulline
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S-Methyl-L-thiocitrulline
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CAS No:
156719-41-4
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Formula:
C7H15N3O2S
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Chemical Name:
S-Methyl-L-thiocitrulline
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Synonyms:
L-Ornithine,N5-[imino(methylthio)methyl]-;N5-[Imino(methylthio)methyl]-L-ornithine;S-Methylthiocitrulline;S-Methyl-L-thiocitrulline;S-MTC;(2S)-2-Amino-5-[[amino(methylsulfanyl)methylidene]amino]pentanoic acid;(S)-2-Amino-5-((imino(methylthio)methyl)amino)pentanoic acid
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CAS No:
Description
S-methyl-L-thiocitrulline is an L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor and a neuroprotective agent. It is a L-arginine derivative, a L-ornithine derivative, a non-proteinogenic L-alpha-amino acid and an imidothiocarbamic ester.
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
L-S-methylthiocitrulline
Computed Properties
Molecular Weight:205.28
XLogP3:-2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:205.08849790
Monoisotopic Mass:205.08849790
Topological Polar Surface Area:127
Heavy Atom Count:13
Complexity:196
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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