(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/800c43fdbf2f4bf7b08ff43c39631599.png "(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
86356-71-0
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Formula:
C17H28N6O8S
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Chemical Name:
(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
1-(2-amino-(4-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol;1-(2-amino-(5-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol;GS-MIS;misonidazole-glutathione conjugate;86356-71-0;GS-Mis;Misonidazole-glutathione conjugate;DTXSID601006760;1-(2-Amino-(4-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol;1-(2-Amino-(5-glutathion-S-yl)-1-imidazolyl)-3-methoxypropanol;5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[1-(2-hydroxy-3-methoxypropyl)-2-imino-2,3-dihydro-1H-imidazol-4-yl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline;Glycine, N-(S-(2-amino-1-(2-hydroxy-3-methoxypropyl)-1H-imidazol-4-yl)-N-L-gamma-glutamyl-L-cysteinyl)-
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CAS No:
(2S)-2-amino-5-[[(2R)-3-[2-amino-1-(2-hydroxy-3-methoxypropyl)imidazol-4-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
476.5 g/mol
476.16893305 g/mol
Computed Properties
Molecular Weight:476.5
XLogP3:-5.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:15
Exact Mass:476.16893305
Monoisotopic Mass:476.16893305
Topological Polar Surface Area:257
Heavy Atom Count:32
Complexity:657
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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