2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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![2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1dc09e353ffa4280b1541e5e2da0667b.png "2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid")
2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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CAS No:
99340-71-3
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Formula:
C16H22BrN3O7S
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Chemical Name:
2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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Synonyms:
99340-71-3;DTXSID40912739;5-({3-[(3-Bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl]-1-[(carboxymethyl)imino]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline;Glycine, N-(S-(3-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)-N-L-gamma-glutamyl-L-cysteinyl)-, (1S-trans)-
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CAS No:
2-amino-5-[[3-(3-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Basic Attributes
480.3 g/mol
479.03618 g/mol
Computed Properties
Molecular Weight:480.3
XLogP3:-3.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:479.03618
Monoisotopic Mass:479.03618
Topological Polar Surface Area:204
Heavy Atom Count:28
Complexity:671
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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