4,4',4''-[15-[4-[[[17beta-Hydroxyestra-1(10),3,5-triene-3-yloxy]acetyl]amino]phenyl]-21H,23H-porphyrin-5,10,20-triyl]tris(1-methylpyridinium)

化合物标识与属性

PubChem CID

102169552

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4C3=CCC(=C4)OCC(=O)[NH2+]C5=CC=C(C=C5)C6=C7C=CC(=N7)C(=C8C=CC(=N8)C(=C9C=CN(C=C9)C)C1=NC(=C(C2=CC=C6[N-]2)C2=CC=[N+](C=C2)C)C=C1)C1=CC=[N+](C=C1)C

Canonical SMILES

CN1C=CC(=C2C3=NC(=C(c4cc[n+](C)cc4)C4=NC(=C(c5ccc([NH2+]C(=O)COC6=CC7=CC[C@@H]8[C@H](CC[C@]9(C)[C@@H](O)CC[C@@H]89)C7=CC6)cc5)c5ccc([n-]5)C(c5cc[n+](C)cc5)=C5C=CC2=N5)C=C4)C=C3)C=C1