5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
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![5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ede1a3ccdcf4457f89c54080db3f20c3.png "5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide")
5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
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CAS No:
123300-09-4
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Formula:
C42H60N8O6S
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Chemical Name:
5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide
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Synonyms:
Dansyl-his-lva-ile-aminomethylpyridine; Dansyl-histidyl-leucyl(CH(OH)CH2)valyl-isoleucyl-aminomethylpyridine;
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CAS No:
5-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-yloctanamide Basic Attributes
805.04100
804.43565284 g/mol
Computed Properties
Molecular Weight:805.0
XLogP3:5.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:21
Exact Mass:804.43565284
Monoisotopic Mass:804.43565284
Topological Polar Surface Area:207
Heavy Atom Count:57
Complexity:1380
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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