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L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)-
SpectraBase Compound ID Ly1sEvxJrhA
InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)
InChIKey RWQKHEORZBHNRI-UHFFFAOYSA-N
Mol Weight 403.82 g/mol
Molecular Formula C20H18ClNO6
Exact Mass 403.082265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19F6uW0ElSK
Name L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, (R)-
CAS Registry Number 303-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClNO6
InChI InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)
InChIKey RWQKHEORZBHNRI-UHFFFAOYSA-N
Molecular Weight 403.818 g/mol
SMILES Oc1c(C(NC(C(=O)O)Cc2ccccc2)=O)cc(c2c1C(OC(C2)C)=O)Cl
SPLASH splash10-052u-2390000000-cff0aa3382e10b673d3f
Source of Spectrum PG-1982-1839-0
Synonyms (-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine (R)-N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1 h-2-benzopyran-7-yl)carbonyl)phenylalanine (R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-benzo(c)pyran-7-yl)carbonyl)-3-phenylalanine N-[(5-Chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]phenylalanine 2-[(5-Chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carbonyl)amino]-3-phenylpropionic acid 2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoic acid 2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionic acid 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoic acid 2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoic acid N-(((3R)-5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-L-alanine Ochratoxin A Phenylalanine-ochratoxin A ANTIBIOTIC 9663 BRN 1301486 CCRIS 2382 EINECS 206-143-7 HSDB 4305 NCI-C56586 NSC 201422 NSC 221991
Wiley ID 1370825