OA-Me2

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

Also Known As: OA-Me2|Dimethylochratoxin A|Ochratoxin A-O-methyl, methyl ester|methyl esterO-methylochratoxin a|O-METHYLOCHRATOXIN A, METHYL ESTER|J3.343.074D|methyl (2S)-2-[[(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate|L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-methoxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, methyl ester, (R)-|ALANINE, N-((5-CHLORO-8-METHOXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3-PHENYL-, METHYL ESTER|ALANINE, N-((5-CHLORO-8-METHOXY-3-METHYL-1-OXO-7-ISOCHROMANYL)CARBONYL)-3-PHENYL-, METHYL ESTER, (-)-|L-Phenylalanine,N-((5-chloro-3,4-dihydro-8-methoxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-,methyl ester,(R)|methyl (2S)-2-{[(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoate|Methyl N-[(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalaninate|N-[[(3R)-1-Oxo-3-methyl-5-chloro-8-methoxy-3,4-dihydro-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine methyl ester

Molecular Formula	C22H22ClNO6
Molecular Weight	431.11356 g/mol
LogP	4.8
Topological Polar Surface Area	90.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	431.11356
Monoisotopic Mass	431.11356
Heavy Atoms	30
Complexity	637.0

Chemical Identifiers

CAS Number	4825-87-0
SMILES	C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)OC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)Cl
InChIKey	RCTSSFFIVYPOQC-PXAZEXFGSA-N