(2S,3S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid
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![(2S,3S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/75d22010c4b64b509a81d4fcb0e11f4e.png "(2S,3S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid")
(2S,3S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid
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CAS No:
956048-52-5
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Formula:
C22H26N2O7
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Chemical Name:
(2S,3S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid
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Synonyms:
ZINC2112653;AKOS030501619;MCULE-6582415697;(2S,3S)-3-methyl-2-(2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)acetamido)pentanoic acid;956048-52-5
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CAS No:
(2S,3S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]pentanoic acid Basic Attributes
430.5 g/mol
430.17400117 g/mol
Computed Properties
Molecular Weight:430.5
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:430.17400117
Monoisotopic Mass:430.17400117
Topological Polar Surface Area:131
Heavy Atom Count:31
Complexity:763
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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