Benzoic acid, 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)
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![Benzoic acid, 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/92efc8b7841c4de19ae293953c75d205.png "Benzoic acid, 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)")
Benzoic acid, 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)
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CAS No:
334830-40-9
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Formula:
C22H25BrN2O4
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Chemical Name:
Benzoic acid, 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI)
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Synonyms:
Ethyl 4-{[N-(3-bromobenzoyl)isoleucyl]amino}benzoate;ZINC38806974
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CAS No:
Benzoic acid, 4-[[2-[(3-bromobenzoyl)amino]-3-methyl-1-oxopentyl]amino]-, ethyl ester (9CI) Basic Attributes
461.3489
460.09977
Computed Properties
Molecular Weight:461.3
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:460.09977
Monoisotopic Mass:460.09977
Topological Polar Surface Area:84.5
Heavy Atom Count:29
Complexity:563
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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