D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI)
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![D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2c97e48926a54d8b81be97fe48f7a038.png "D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI)")
D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI)
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CAS No:
868565-58-6
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Formula:
C26H30F4N2O7
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Chemical Name:
D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI)
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Synonyms:
(3S)-tert-butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate;SCHEMBL17261863;CS-M1506;CS-13944
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CAS No:
D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI) Basic Attributes
558.5192128
558.199
Computed Properties
Molecular Weight:558.5
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:558.19891395
Monoisotopic Mass:558.19891395
Topological Polar Surface Area:123
Heavy Atom Count:39
Complexity:796
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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D-glycero-Pentonic acid, 2,3-dideoxy-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-O-(2,3,5,6-tetrafluorophenyl)-, 1,1-diMethylethyl ester, (4ξ)- (9CI)
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