(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2E)-2-(methylsulfonylhydrazinylidene)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2E)-2-(methylsulfonylhydrazinylidene)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3a23c2c4f59b43098a5b49bfaf615f86.png "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2E)-2-(methylsulfonylhydrazinylidene)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2E)-2-(methylsulfonylhydrazinylidene)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
1290069-64-5
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Formula:
C13H23N5O8S2
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Chemical Name:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2E)-2-(methylsulfonylhydrazinylidene)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
UNII-VU9ZH59QK2;VU9ZH59QK2;Laromustine metabolite M5;VNP-4090CE metabolite M5;S-(2-(2-(Methylsulfonyl)hydrazinylidene)ethyl)gsh;S-(2-(2-(Methylsulfonyl)hydrazinylidene)ethyl)glutathione;Glycine, L-gamma-glutamyl-S-(2-(2-(methylsulfonyl)hydrazinylidene)ethyl)-L-cysteinyl-;L-gamma-Glutamyl-S-(2-(2-(methylsulfonyl)hydrazinylidene)ethyl)-L-cysteinyl-glycine;(2S)-2-Amino-5-(((1R)-2-(carboxymethylamino)-1-(((2E)-2-(methylsulfonylhydrazono)ethyl)sulfanylmethyl)-2-oxo-ethyl)amino)-5-oxo-pentanoic acid;1290069-64-5
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CAS No:
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2E)-2-(methylsulfonylhydrazinylidene)ethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
441.5 g/mol
441.09880506 g/mol
VU9ZH59QK2
Computed Properties
Molecular Weight:441.5
XLogP3:-5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:14
Exact Mass:441.09880506
Monoisotopic Mass:441.09880506
Topological Polar Surface Area:251
Heavy Atom Count:28
Complexity:692
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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