(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
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![(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9f79dac9abc84625a0592b1492fefa48.png "(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid")
(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
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CAS No:
35299-87-7
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Formula:
C20H18ClNO7
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Chemical Name:
(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
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Synonyms:
4-hydroxyochratoxin A;4-hydroxyochratoxin A, (3R-trans)-isomer;4-Hydroxyochratoxin A;UNII-O73WZV6DIP;O73WZV6DIP;35299-87-7;(4R)-Hydroxyochratoxin A;(4R)-4-Hydroxyochratoxin A;DTXSID60956731;(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid;Q27285429;L-Phenylalanine, N-(((3R,4R)-5-chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-;N-(((3R,4R)-5-Chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanine;N-[(5-Chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]phenylalanine;Phenylalanine, N-((5-chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (3R-cis)-
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CAS No:
(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid Basic Attributes
419.8 g/mol
419.0771796 g/mol
O73WZV6DIP
Computed Properties
Molecular Weight:419.8
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:419.0771796
Monoisotopic Mass:419.0771796
Topological Polar Surface Area:133
Heavy Atom Count:29
Complexity:638
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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