| Properties | Image |
|---|
| MNX_ID | MNXM158683 |
 |
| reference | keggD:D09934 |
| formula | C27H43Cl3N4O5 |
| global charge | 0 |
| mol weight | 610.023 |
| InChIKey | ZKVOMYDQQYOJKE-YYYSISSNSA-N |
| InChI | InChI=1S/C27H41ClN4O5.2ClH/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32;;/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34);2*1H/t22-,24?,25+;;/m1../s1 |
| SMILES | COC1=CC(N)=C(Cl)C=C1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@@H]2CN3CCC2CC3)C[C@@H]1OC.Cl.Cl |
MNX internals
| InChI (mnx) | InChI=1/C27H41ClN4O5.2ClH/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32;;/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34);2*1H/t22-,24?,25+;;/m1../s1 |
 |
| SMILES (mnx) | [CH3:1][O:35][C:23]1=[CH:15][C:21]([NH2:29])=[C:20]([Cl:28])[CH:14]=[C:19]1[C:27](=[N:30][C@@H:22]1[CH2:9][CH2:13][N:31]([CH2:10][CH2:5][CH2:3][CH2:4][CH2:6][C:26](=[O:33])[O:37][CH:24]2[CH2:16][N:32]3[CH2:11][CH2:7][CH:18]2[CH2:8][CH2:12]3)[CH2:17][C@@H:25]1[O:36][CH3:2])[OH:34].[ClH:38].[ClH:39] |
|