4-Hydroxyochratoxin A

(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

Also Known As: 4-Hydroxyochratoxin A|(4R)-4-Hydroxyochratoxin A|(4R)-Hydroxyochratoxin A|4(R)-HYDROXYOCHRATOXIN A|4-HYDROXYOCHRATOXIN A, (4S)-|(2S)-2-[[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid|L-Phenylalanine, N-(((3R,4R)-5-chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-|Phenylalanine, N-((5-chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, (3R-cis)-|n-{[(3r,4r)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-1h-isochromen-7-yl]carbonyl}-l-phenylalanine|N-(3-(N-(5-hydroxy-6-(morpholine-4-carbonyl)naphthalen-1-yl)sulfamoyl)phenyl)acrylamide|N-(4-acrylamidophenethyl)-1-hydroxy-5-(2,2,2-trifluoroacetamido)-2-naphthamide|(2S)-2-{[(3R,4R)-5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid|2-Propenamide, N-propyl-, polymer with 1-ethenyl-2-pyrrolidinoneOTHER CA INDEX NAMES:2-Pyrrolidinone, 1-ethenyl-, polymer with N-propyl-2-propenamide|2-Propenoic acid, sodium salt, polymer with N-propyl-2-propenamideOTHER CA INDEX NAMES:2-Propenamide, N-propyl-, polymer with sodium 2-propenoate|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|N-[[(3R)-1-Oxo-3alpha-methyl-5-chloro-4alpha,8-dihydroxyisochroman-7-yl]carbonyl]-L-phenylalanine|N-[[(3R)-5-Chloro-3,4-dihydro-4alpha,8-dihydroxy-3alpha-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine|N-[[(3R,4R)-4-Hydroxy-5-chloro-3,4-dihydro-8-hydroxy-3alpha-methyl-1-oxo-1H-2-benzopyran]-7-ylcarbonyl]-L-Phe-OH|N-[[(3R,4R)-5-Chloro-3,4-dihydro-4,8-dihydroxy-3-methyl-1-oxo-1H-2-benzopyran]-7-ylcarbonyl]-L-phenylalanine|N-{[(3R,4R)-5-Chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl](hydroxy)methylidene}-L-phenylalanine

Molecular Formula	C20H18ClNO7
Molecular Weight	419.07718 g/mol
LogP	2.06
Topological Polar Surface Area	133.16 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	419.07718
Heavy Atoms	29
Complexity	976.5

Chemical Identifiers

CAS Number	35299-87-7
SMILES	C[C@@H]1[C@@H](C2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl)O