(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
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![(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/afc4facabb4e4fff94779255da850b0b.png "(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione")
(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
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CAS No:
122380-19-2
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Formula:
C22H22N4O5
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Chemical Name:
(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
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Synonyms:
thaxtomin B;thaxtomine B;Thaxtomin B;122380-19-2;Thaxtomine B;(3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione;CHEMBL2270639;DTXSID70924148;(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;2,5-Piperazinedione, 3-hydroxy-1,4-dimethyl-6-((4-nitro-1H-indol-3-yl)methyl)-3-(phenylmethyl)-, (3R,6S)-;2,5-Piperazinedione, 3-hydroxy-1,4-dimethyl-6-((4-nitro-1H-indol-3-yl)methyl)-3-(phenylmethyl)-, (3R-trans)-;C8B
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CAS No:
(3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione Basic Attributes
422.4 g/mol
422.15901982 g/mol
Computed Properties
Molecular Weight:422.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:422.15901982
Monoisotopic Mass:422.15901982
Topological Polar Surface Area:123
Heavy Atom Count:31
Complexity:721
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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