(5-bromo-6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[(2S)-4-methyl-2-[[(3S)-2-oxo-azacyclotridec-3-yl]carbamoyl]pentyl]phosphinic acid
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![(5-bromo-6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[(2S)-4-methyl-2-[[(3S)-2-oxo-azacyclotridec-3-yl]carbamoyl]pentyl]phosphinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/038b5abe47994e218ec1c1aa73c4b528.png "(5-bromo-6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[(2S)-4-methyl-2-[[(3S)-2-oxo-azacyclotridec-3-yl]carbamoyl]pentyl]phosphinic acid")
(5-bromo-6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[(2S)-4-methyl-2-[[(3S)-2-oxo-azacyclotridec-3-yl]carbamoyl]pentyl]phosphinic acid
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CAS No:
141368-50-5
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Formula:
C32H43BrN3O7P
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Chemical Name:
(5-bromo-6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[(2S)-4-methyl-2-[[(3S)-2-oxo-azacyclotridec-3-yl]carbamoyl]pentyl]phosphinic acid
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Synonyms:
Phosphinic acid,((5-bromo-6-hydroxy-1,3-dioxo-1H-benz(de)isoquinolin-2(3H)-yl)methyl)(4-methyl-2-(((2-oxazacyclotridec-3-yl)amino)carbonyl)pentyl)-,(S-(R*,R*)); Ro 31-7467;
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CAS No:
(5-bromo-6-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl-[(2S)-4-methyl-2-[[(3S)-2-oxo-azacyclotridec-3-yl]carbamoyl]pentyl]phosphinic acid Basic Attributes
692.57700
691.20220
DTXSID40161705
Computed Properties
Molecular Weight:692.6
XLogP3:5.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:691.20220
Monoisotopic Mass:691.20220
Topological Polar Surface Area:153
Heavy Atom Count:44
Complexity:1090
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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