2-{[(5-氯-8-羟基-3-甲基-1-氧代-3,4-二氢-1H-异色烯-7-基)羰基]氨基}-3-苯丙酸钠(89930-55-2)名称与标识符
名称
英文别名:
sodium 2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino}-3-phenylpropanoate;sodium,2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoate;Q27896326;Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, sodium salt, (-)-;OCHRATOXIN A, SODIUM SALT;Ochratoxin A sodium;DTXSID001009061;DTXCID901435889;L-PHENYLALANINE, N-((5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-, MONOSODIUM SALT, (R)-;LU2A4O8EY3;89930-55-2;OCHRATOXIN A SODIUM, (-)-;UNII-LU2A4O8EY3;Ochratoxin A sodium salt;
标识符
InChIKey:
HXNIIXUGQQXXLM-UHFFFAOYSA-M
Inchi:
1S/C20H18ClNO6.Na/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);/q;+1/p-1
SMILES:
ClC1=CC(C(NC(C(=O)[O-])CC2C=CC=CC=2)=O)=C(C2C(=O)OC(C)CC=21)O.[Na+]