| Properties | Image |
MNX_ID | MNXM529460 |
 |
reference | chebi:119265 |
formula | C33H37FN4O4 |
global charge | 0 |
mol weight | 572.681 |
InChIKey | KIMVBWBBLXVDQH-QLVXXPONSA-N |
InChI | InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-14-7-8-15-28(27)37(31)4)26-13-6-5-10-23(26)20-42-29(21)18-36(3)33(41)35-25-12-9-11-24(34)16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29+/m1/s1 |
SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC1=CC(F)=CC=C1)C1=CC=CC=C1N2C |
MNX internals
InChI (mnx) | InChI=1/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-14-7-8-15-28(27)37(31)4)26-13-6-5-10-23(26)20-42-29(21)18-36(3)33(41)35-25-12-9-11-24(34)16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29+/m1/s1 |
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SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:17][N:38]([C@H:22]([CH3:2])[CH2:19][OH:39])[C:32](=[O:40])[C:31]2=[C:30]([C:26]3=[CH:13][CH:6]=[CH:5][CH:10]=[C:23]3[CH2:20][O:42][C@H:29]1[CH2:18][N:36]([CH3:3])[C:33](=[N:35][C:25]1=[CH:12][CH:9]=[CH:11][C:24]([F:34])=[CH:16]1)[OH:41])[C:27]1=[CH:14][CH:7]=[CH:8][CH:15]=[C:28]1[N:37]2[CH3:4] |
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