S65487 sulfate(2416937-01-2)名称与标识符
名称
英文别名:
1H-Pyrrole-3-carboxamide, 5-[5-chloro-2-[[(3S)-3,4-dihydro-3-(4-morpholinylmethyl)-2(1H)-isoquinolinyl]carbonyl]phenyl]-N-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethyl-, compd. with sulfurate (1:1);S65487 sulfate;VOB560 sulfate;AKOS040757748;HY-138697A;CS-0167190;5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethylpyrrole-3-carboxamide;sulfuric acid;DA-67353;MS-31513;G18193;S65487 (sulfate);2416937-01-2;
标识符
InChIKey:
ZLAZYXMNPRHARH-WAQYZQTGSA-N
Inchi:
1S/C41H41ClN6O4.H2O4S/c1-26-36(41(51)48(31-10-12-34(49)13-11-31)38-21-32(23-43)44(3)27(38)2)22-39(45(26)4)37-20-30(42)9-14-35(37)40(50)47-24-29-8-6-5-7-28(29)19-33(47)25-46-15-17-52-18-16-46;1-5(2,3)4/h5-14,20-22,33,49H,15-19,24-25H2,1-4H3;(H2,1,2,3,4)/t33-;/m0./s1
SMILES:
S(O)(O)(=O)=O.N(C1C=CC(O)=CC=1)(C1=C(N(C)C(C#N)=C1)C)C(C1=C(N(C)C(C2C=C(Cl)C=CC=2C(N2CC3=CC=CC=C3C[C@H]2CN2CCOCC2)=O)=C1)C)=O