| Properties | Image |
| MNX_ID | MNXM338728 |
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| reference | chebi:126928 |
| formula | C29H35N3O4 |
| global charge | 0 |
| mol weight | 489.616 |
| InChIKey | HFOYOASHGVVYAC-DEOSSOPVSA-N |
| InChI | InChI=1S/C29H35N3O4/c1-4-25(34)32-19-29(12-14-31(15-13-29)26(35)16-20-8-6-5-7-9-20)27-22-11-10-21(36-3)17-23(22)30(2)28(27)24(32)18-33/h5-11,17,24,33H,4,12-16,18-19H2,1-3H3/t24-/m0/s1 |
| SMILES | CCC(=O)N1CC2(CCN(C(=O)CC3=CC=CC=C3)CC2)C2=C([C@@H]1CO)N(C)C1=C2C=CC(OC)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H35N3O4/c1-4-25(34)32-19-29(12-14-31(15-13-29)26(35)16-20-8-6-5-7-9-20)27-22-11-10-21(36-3)17-23(22)30(2)28(27)24(32)18-33/h5-11,17,24,33H,4,12-16,18-19H2,1-3H3/t24-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][C:25]([N:32]1[CH2:19][C:29]2([CH2:12][CH2:14][N:31]([C:26]([CH2:16][C:20]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)=[O:35])[CH2:15][CH2:13]2)[C:27]2=[C:28]([C@@H:24]1[CH2:18][OH:33])[N:30]([CH3:2])[C:23]1=[C:22]2[CH:11]=[CH:10][C:21]([O:36][CH3:3])=[CH:17]1)=[O:34] |
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