| Properties | Image |
|---|
| MNX_ID | MNXM114436 |
 |
| reference | metacycM:CPD-14931 |
| formula | C20H21N7O7* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C(=O)CC[C@H](NC(=O)C1=CC=C(N(C=O)C[C@H]2CNC3=NC(N)=NC(=O)[C@]3(O)N2)C=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C21H25N7O7/c1-11(30)2-7-15(17(32)33)24-16(31)12-3-5-14(6-4-12)28(10-29)9-13-8-23-18-21(35,27-13)19(34)26-20(22)25-18/h3-6,10,13,15,27,35H,2,7-9H2,1H3,(H,24,31)(H,32,33)(H3,22,23,25,26,34)/t13-,15+,21+/m1/s1/i1+1 |
 |
| SMILES (mnx) | [13CH3:1][C:11]([CH2:2][CH2:7][C@@H:15]([C:17](=[O:32])[OH:33])[NH:24][C:16]([C:12]1=[CH:4][CH:6]=[C:14]([N:28]([CH2:9][C@H:13]2[CH2:8][N:23]=[C:18]3[C@:21]([OH:35])([C:19]([OH:34])=[N:26][C:20](=[NH:22])[NH:25]3)[NH:27]2)[CH:10]=[O:29])[CH:5]=[CH:3]1)=[O:31])=[O:30] |
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