iso MGS(415952-70-4)名称与标识符
名称
英文别名:
iso-MGS;iso-migrastatin;isomigrastatin;4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione;CHEMBL1221912;DTXSID30904042;415952-70-4;Q14035814;CHEBI:80125;TYTDEHCAAKKYOG-FEJRZXFSSA-N;SCHEMBL9008577;4-((E,5S)-7-((2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl)-5-methyl-4-oxooct-6-enyl)piperidine-2,6-dione;DTXCID801331961;
标识符
InChIKey:
TYTDEHCAAKKYOG-FEJRZXFSSA-N
Inchi:
1S/C27H39NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1
SMILES:
O1C(C=CCCC=C[C@@H]([C@H]([C@H](C)[C@@H]1/C(/C)=C/[C@H](C)C(CCCC1CC(NC(C1)=O)=O)=O)O)OC)=O |t:2,6|