2-(4-aminobutylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
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![2-(4-aminobutylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/56998af898694e9aa77674ab3b7b4cde.png "2-(4-aminobutylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide")
2-(4-aminobutylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
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CAS No:
78542-41-3
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Formula:
C66H95N13O16
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Chemical Name:
2-(4-aminobutylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
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Synonyms:
N-(4-Aminobutyl)actinomycin D dihydrate;Actinomycin D, N-(4-aminobutyl)-, dihydrate;78542-41-3
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CAS No:
2-(4-aminobutylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide Basic Attributes
1326.5 g/mol
1325.70197399 g/mol
Computed Properties
Molecular Weight:1326.5
XLogP3:4.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:13
Exact Mass:1325.70197399
Monoisotopic Mass:1325.70197399
Topological Polar Surface Area:368
Heavy Atom Count:95
Complexity:3130
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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