4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
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![4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0e489e4686224c3884daf33118dd8c97.png "4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid")
4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
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CAS No:
145585-98-4
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Formula:
C20H29Cl3N4O9
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Chemical Name:
4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
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Synonyms:
Peritoxin A;
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CAS No:
4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid Basic Attributes
575.82500
574.100012 g/mol
Computed Properties
Molecular Weight:575.8
XLogP3:-4.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:574.100012
Monoisotopic Mass:574.100012
Topological Polar Surface Area:228
Heavy Atom Count:36
Complexity:897
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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