| Properties | Image |
|---|
| MNX_ID | MNXM103928 |
 |
| reference | keggD:D07263 |
| formula | C33H45ClN4O6 |
| global charge | 0 |
| mol weight | 629.198 |
| InChIKey | FNOZOEQGHOYGSF-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H20N2O2.C14H21ClN2O2.2H2O/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13;;/h4-13,17H,2-3,14H2,1H3;5-8H,3-4,9-11H2,1-2H3,(H,16,18);2*1H2 |
| SMILES | CCCCC1C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O.CCN(CC)CCNC(=O)COC1=CC=C(Cl)C=C1.O.O |
MNX internals
| InChI (mnx) | InChI=1/C19H20N2O2.C14H21ClN2O2.2H2O/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13;;/h4-13,17H,2-3,14H2,1H3;5-8H,3-4,9-11H2,1-2H3,(H,16,18);2*1H2 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:14][CH:17]1[C:18](=[O:22])[N:20]([C:15]2=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]2)[N:21]([C:16]2=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]2)[C:19]1=[O:23].[CH3:24][CH2:26][N:40]([CH2:27][CH3:25])[CH2:33][CH2:32][N:39]=[C:37]([CH2:34][O:42][C:36]1=[CH:31][CH:29]=[C:35]([Cl:38])[CH:28]=[CH:30]1)[OH:41].[OH2:43].[OH2:44] |
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