| Properties | Image |
|---|
| MNX_ID | MNXM530182 |
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| reference | chebi:128783 |
| formula | C27H35N3O2 |
| global charge | 0 |
| mol weight | 433.596 |
| InChIKey | ZAHXKZOKOUSJMC-OHSXHVKISA-N |
| InChI | InChI=1S/C27H35N3O2/c1-28(2)19-26(32)29-16-6-7-17-30-24(18-29)27(25(30)20-31)23-14-12-22(13-15-23)11-10-21-8-4-3-5-9-21/h3-5,8-15,24-25,27,31H,6-7,16-20H2,1-2H3/t24-,25-,27+/m0/s1 |
| SMILES | CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@H](C3=CC=C(C=CC4=CC=CC=C4)C=C3)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H35N3O2/c1-28(2)19-26(32)29-16-6-7-17-30-24(18-29)27(25(30)20-31)23-14-12-22(13-15-23)11-10-21-8-4-3-5-9-21/h3-5,8-15,24-25,27,31H,6-7,16-20H2,1-2H3/b11-10?/t24-,25-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:28]([CH3:2])[CH2:19][C:26]([N:29]1[CH2:16][CH2:6][CH2:7][CH2:17][N:30]2[C@@H:24]([CH2:18]1)[C@@H:27]([C:23]1=[CH:15][CH:13]=[C:22]([CH:11]=[CH:10][C:21]3=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]3)[CH:12]=[CH:14]1)[C@@H:25]2[CH2:20][OH:31])=[O:32] |
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