| Properties | Image |
|---|
| MNX_ID | MNXM161707 |
 |
| reference | keggD:D10736 |
| formula | C50H70N12O6 |
| global charge | 0 |
| mol weight | 935.188 |
| InChIKey | FWIDBLDKHORZBP-CEAXSRTFSA-N |
| InChI | InChI=1S/2C23H32N6.C4H6O6/c2*1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18;5-1(3(7)8)2(6)4(9)10/h2*12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 |
| SMILES | CC1=CC(C)=C2N=C(C3=C(C)N=C(NCCCC4CCN(C)CC4)N=C3)NC2=C1.CC1=CC(C)=C2N=C(C3=C(C)N=C(NCCCC4CCN(C)CC4)N=C3)NC2=C1.O=C(O)[C@H](O)[C@@H](O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/2C23H32N6.C4H6O6/c2*1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18;5-1(3(7)8)2(6)4(9)10/h2*12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1 |
 |
| SMILES (mnx) | [C@@H:59]([C@H:60]([C:62](=[O:67])[OH:68])[OH:64])([C:61](=[O:65])[OH:66])[OH:63].[CH3:1][C:15]1=[CH:12][C:16]([CH3:2])=[C:21]2[C:20](=[CH:13]1)[N:27]=[C:22]([C:19]1=[CH:14][NH:25][C:23](=[N:24][CH2:9][CH2:5][CH2:6][CH:18]3[CH2:7][CH2:10][N:29]([CH3:4])[CH2:11][CH2:8]3)[N:26]=[C:17]1[CH3:3])[NH:28]2.[CH3:30][C:44]1=[CH:41][C:45]([CH3:31])=[C:50]2[C:49](=[CH:42]1)[N:56]=[C:51]([C:48]1=[CH:43][NH:54][C:52](=[N:53][CH2:38][CH2:34][CH2:35][CH:47]3[CH2:36][CH2:39][N:58]([CH3:33])[CH2:40][CH2:37]3)[N:55]=[C:46]1[CH3:32])[NH:57]2 |
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