4-(1,3-dioxoisoindol-2-yl)butyl-N-[(2S,3S)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-oxopentan-2-yl]phosphonamidic acid
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![4-(1,3-dioxoisoindol-2-yl)butyl-N-[(2S,3S)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-oxopentan-2-yl]phosphonamidic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2d4c4ba300e14890b26fc47176568935.png "4-(1,3-dioxoisoindol-2-yl)butyl-N-[(2S,3S)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-oxopentan-2-yl]phosphonamidic acid")
4-(1,3-dioxoisoindol-2-yl)butyl-N-[(2S,3S)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-oxopentan-2-yl]phosphonamidic acid
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CAS No:
154438-97-8
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Formula:
C32H39N4O6P
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Chemical Name:
4-(1,3-dioxoisoindol-2-yl)butyl-N-[(2S,3S)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-oxopentan-2-yl]phosphonamidic acid
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Synonyms:
N-(((phthalimidyl)butyl)phospho)isoleucyl-beta-naphthylalanine methylamide;Pht-Ape(P)-Ile-Nal-MA;phthaloyl-N-(CH2)4-PO2-Ile-(beta-naphthyl)Ala-NHCH3;Pht-ape(P)-ile-nal-MA;154438-97-8;Phthaloyl-N-(CH2)4-PO2-ile-(beta-naphthyl)ala-NHCH3;DTXSID40165627;N-(((Phthalimidyl)butyl)phospho)isoleucyl-beta-naphthylalanine methylamide
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CAS No:
4-(1,3-dioxoisoindol-2-yl)butyl-N-[(2S,3S)-3-methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-1-oxopentan-2-yl]phosphonamidic acid Basic Attributes
606.6 g/mol
606.26072197 g/mol
DTXSID40165627
Computed Properties
Molecular Weight:606.6
XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:606.26072197
Monoisotopic Mass:606.26072197
Topological Polar Surface Area:145
Heavy Atom Count:43
Complexity:1030
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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