| Properties | Image |
|---|
| MNX_ID | MNXM161450 |
 |
| reference | chebi:90923 |
| formula | C46H62N12O14P2 |
| global charge | 0 |
| mol weight | 1069.02 |
| InChIKey | SVUJNSGGPUCLQZ-FQQAACOVSA-N |
| InChI | InChI=1S/2C21H29N6O5P.C4H4O4/c2*1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h2*5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1 |
| SMILES | CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C21)OC1=CC=CC=C1.CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C21)OC1=CC=CC=C1.O=C(O)/C=C/C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/2C21H29N6O5P.C4H4O4/c2*1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h2*5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[O:31][C:21]([C@H:16]([CH3:4])[NH:26][P@@:33]([CH2:13][O:30][C@H:15]([CH3:3])[CH2:10][N:27]1[CH:12]=[N:25][C:18]2=[C:19]([NH2:22])[N:23]=[CH:11][N:24]=[C:20]21)(=[O:29])[O:32][C:17]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)=[O:28].[CH3:34][CH:47]([CH3:35])[O:64][C:54]([C@H:49]([CH3:37])[NH:59][P@@:66]([CH2:46][O:63][C@H:48]([CH3:36])[CH2:43][N:60]1[CH:45]=[N:58][C:51]2=[C:52]([NH2:55])[N:56]=[CH:44][N:57]=[C:53]21)(=[O:62])[O:65][C:50]1=[CH:41][CH:39]=[CH:38][CH:40]=[CH:42]1)=[O:61].[CH:67](=[CH:68]/[C:70](=[O:73])[OH:74])\[C:69](=[O:71])[OH:72] |
|