| Properties | Image |
|---|
| MNX_ID | MNXM1181464 |
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| reference | envipathM:...8ba6a5d25fee |
| formula | C19H15N7O7 |
| global charge | -2 |
| mol weight | 453.371 |
| InChIKey | IBBJIZXJCDBUKT-UHFFFAOYSA-L |
| InChI | InChI=1S/C19H17N7O7/c20-15-14-16(26-19(21)25-15)22-6-9(23-14)7-33-10-3-1-8(2-4-10)17(30)24-13(18(31)32)11(27)5-12(28)29/h1-4,6,13H,5,7H2,(H,24,30)(H,28,29)(H,31,32)(H4,20,21,22,25,26)/p-2 |
| SMILES | NC1=NC(N)=C2N=C(COC3=CC=C(C(=O)NC(C(=O)[O-])C(=O)CC(=O)[O-])C=C3)C=NC2=N1 |
MNX internals
| InChI (mnx) | InChI=1/C19H17N7O7/c20-15-14-16(26-19(21)25-15)22-6-9(23-14)7-33-10-3-1-8(2-4-10)17(30)24-13(18(31)32)11(27)5-12(28)29/h1-4,6,13H,5,7H2,(H,24,30)(H,28,29)(H,31,32)(H4,20,21,22,25,26)/t13? |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([O:33][CH2:7][C:9]2=[N:23][C:14]3=[C:15]([NH2:20])[NH:25][C:19](=[NH:21])[N:26]=[C:16]3[N:22]=[CH:6]2)=[CH:4][CH:2]=[C:8]1[C:17]([NH:24][CH:13]([C:11]([CH2:5][C:12](=[O:28])[OH:29])=[O:27])[C:18](=[O:31])[OH:32])=[O:30] |
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