atorvastatin lactone

Properties Image MNX_ID MNXM744660 reference chebi:233896 formula C33H33FN2O4 global charge 0 mol weight 540.635 InChIKey OUCSEDFVYPBLLF-KAYWLYCHSA-N InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1 SMILES CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H]1C[C@@H](O)CC(=O)O1 MNX internals InChI (mnx) InChI=1/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1 SMILES (mnx) [CH3:1][CH:21]([CH3:2])[C:31]1=[C:30]([C:33](=[N:35][C:25]2=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]2)[OH:39])[C:29]([C:22]2=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]2)=[C:32]([C:23]2=[CH:14][CH:16]=[C:24]([F:34])[CH:15]=[CH:13]2)[N:36]1[CH2:18][CH2:17][C@@H:27]1[CH2:19][C@@H:26]([OH:37])[CH2:20][C:28](=[O:38])[O:40]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 12