3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
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![3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/602f339529a8496689cd3f7c16ac2d1e.png "3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid")
3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
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CAS No:
106396-24-1
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Formula:
C18H25N5O6
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Chemical Name:
3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
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Synonyms:
Estatin B; Oxiranecarboxylic acid,3-(((2-((4-((aminoiminomethyl)amino)butyl)amino)-1-((4-hydroxyphenyl)methyl)-2-oxoethyl)amino)carbonyl);
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CAS No:
3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Basic Attributes
407.42100
407.18048353 g/mol
Computed Properties
Molecular Weight:407.4
XLogP3:-1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:407.18048353
Monoisotopic Mass:407.18048353
Topological Polar Surface Area:193
Heavy Atom Count:29
Complexity:616
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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