INX-SM-6(2734878-16-9)名称与标识符
名称
英文别名:
Pregna-1,4-diene-3,20-dione, 16,17-[[(R)-[2-[(3-aminophenyl)methyl]-5-thiazolyl]methylene]bis(oxy)]-11,21-dihydroxy-, (11β,16α)-;INX-SM-6;2734878-16-9;HY-147119;SCHEMBL24622444;(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[2-[(3-aminophenyl)methyl]-1,3-thiazol-5-yl]-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one;CS-0529626;MS-30373;
标识符
InChIKey:
NJJMSRHGOQXBCC-CIIJGLHGSA-N
Inchi:
1S/C32H36N2O6S/c1-30-9-8-20(36)12-18(30)6-7-21-22-13-26-32(25(38)16-35,31(22,2)14-23(37)28(21)30)40-29(39-26)24-15-34-27(41-24)11-17-4-3-5-19(33)10-17/h3-5,8-10,12,15,21-23,26,28-29,35,37H,6-7,11,13-14,16,33H2,1-2H3/t21-,22-,23-,26+,28+,29+,30-,31-,32+/m0/s1
SMILES:
O=C1C=C2[C@]([C@]3([H])[C@]([H])([C@@]4([H])[C@@]([C@]5([C@](C4)([H])O[C@@H](C4=CN=C(S4)CC4=CC(N)=CC=C4)O5)C(=O)CO)(C[C@@H]3O)C)CC2)(C)C=C1