| Properties | Image |
|---|
| MNX_ID | MNXM12421 |
 |
| reference | metacycM:CPD-10080 |
| formula | C19H24N7O5 |
| global charge | 1 |
| mol weight | 430.445 |
| InChIKey | GCCJIIJWAJOTAC-YCOMJZELSA-O |
| InChI | InChI=1S/C19H23N7O5/c20-11(5-9-1-3-10(28)4-2-9)18(30)25-13-12(6-27)31-19(15(13)29)26-8-24-14-16(21)22-7-23-17(14)26/h1-4,7-8,11-13,15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/p+1/t11-,12+,13+,15+,19+/m0/s1 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](NC(=O)[C@@H]([NH3+])CC4=CC=C(O)C=C4)[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C19H23N7O5/c20-11(5-9-1-3-10(28)4-2-9)18(30)25-13-12(6-27)31-19(15(13)29)26-8-24-14-16(21)22-7-23-17(14)26/h1-4,7-8,11-13,15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,13+,15+,19+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:28])=[CH:4][CH:2]=[C:9]1[CH2:5][C@@H:11]([C:18](=[N:25][C@@H:13]1[C@@H:12]([CH2:6][OH:27])[O:31][C@@H:19]([N:26]2[CH:8]=[N:24][C:14]3=[C:16]([NH2:21])[N:22]=[CH:7][N:23]=[C:17]32)[C@@H:15]1[OH:29])[OH:30])[NH2:20] |
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