| Properties | Image |
|---|
| MNX_ID | MNXM152209 |
 |
| reference | keggD:D02527 |
| formula | C19H18N8Na2O5 |
| global charge | 0 |
| mol weight | 484.384 |
| InChIKey | USOUFAHHWNKDJC-LTCKWSDVSA-L |
| InChI | InChI=1S/C19H20N8O5.2Na/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);;/q;2*+1/p-2/t12-;;/m0../s1 |
| SMILES | NC1=NC(N)=C2N=C(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C=NC2=N1.[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C19H20N8O5.2Na/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27);;/q;2*+1/t12-;;/m0../s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([NH:22][CH2:7][C:11]2=[N:24][C:14]3=[C:15]([NH2:20])[NH:26][C:19](=[NH:21])[N:27]=[C:16]3[N:23]=[CH:8]2)=[CH:4][CH:2]=[C:9]1[C:17]([NH:25][C@@H:12]([CH2:5][CH2:6][C:13](=[O:28])[OH:29])[C:18](=[O:31])[OH:32])=[O:30].[Na+:33].[Na+:34] |
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