| Properties | Image |
|---|
| MNX_ID | MNXM126580 |
 |
| reference | chebi:52167 |
| formula | C42H66Cl2N2 |
| global charge | 0 |
| mol weight | 669.91 |
| InChIKey | FBGKIVBTDNVGQM-XFRAEFFKSA-N |
| InChI | InChI=1S/C42H64N2.2ClH/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;;/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*1H/t37-,38-,39-,40-,41+,42+;;/m0../s1 |
| SMILES | CC(C)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(CNCCNC[C@]3(C)CCC[C@]4(C)C5=C(C=C(C(C)C)C=C5)CC[C@@H]34)CCC[C@]21C.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C42H64N2.2ClH/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;;/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;2*1H/t37-,38-,39-,40-,41+,42+;;/m0../s1 |
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| SMILES (mnx) | [CH3:1][CH:29]([CH3:2])[C:31]1=[CH:11][CH:15]=[C:35]2[C:33](=[CH:25]1)[CH2:13][CH2:17][C@H:37]1[C@:39]([CH3:5])([CH2:27][NH:43][CH2:23][CH2:24][NH:44][CH2:28][C@:40]3([CH3:6])[CH2:20][CH2:10][CH2:22][C@:42]4([CH3:8])[C:36]5=[CH:16][CH:12]=[C:32]([CH:30]([CH3:3])[CH3:4])[CH:26]=[C:34]5[CH2:14][CH2:18][C@@H:38]34)[CH2:19][CH2:9][CH2:21][C@:41]21[CH3:7].[ClH:45].[ClH:46] |
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