| Properties | Image |
|---|
| MNX_ID | MNXM161563 |
 |
| reference | keggD:D04890 |
| formula | C24H36N10O10S2 |
| global charge | 0 |
| mol weight | 688.746 |
| InChIKey | MHHWAJPQBHEAIW-PAAHXCEKSA-P |
| InChI | InChI=1S/C24H34N8O4S2.2NO3/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;2*2-1(3)4/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);;/q;2*-1/p+2/b21-15-,22-16-;; |
| SMILES | CC1=NC([NH3+])=C(CN(C=O)/C(C)=C(/CCO)SS/C(CCO)=C(/C)N(C=O)CC2=C([NH3+])N=C(C)N=C2)C=N1.O=[N+]([O-])[O-].O=[N+]([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C24H34N8O4S2.2NO3/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;2*2-1(3)4/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);;/q;2*-1/b21-15-,22-16-;; |
 |
| SMILES (mnx) | [CH3:1]/[C:15](=[C:21](\[CH2:5][CH2:7][OH:33])[S:37][S:38]/[C:22]([CH2:6][CH2:8][OH:34])=[C:16](/[CH3:2])[N:32]([CH2:12][C:20]1=[CH:10][N:28]=[C:18]([CH3:4])[NH:30][C:24]1=[NH:26])[CH:14]=[O:36])[N:31]([CH2:11][C:19]1=[CH:9][N:27]=[C:17]([CH3:3])[NH:29][C:23]1=[NH:25])[CH:13]=[O:35].[N+:39]([O-:40])([O-:41])=[O:42].[N+:43]([O-:44])([O-:45])=[O:46] |
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