| PDB CCD ID: | EZG |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C15 H19 N5 O5 |
| InChI: | InChI=1S/C15H19N5O5/c16-12(5-10-6-17-8-18-10)15(23)19-13(7-21)14(22)9-1-3-11(4-2-9)20(24)25/h1-4,6,8,12-14,21-22H,5,7,16H2,(H,17,18)(H,19,23)/t12-,13+,14+/m0/s1 |
| InChIKey: | MMDMFLDVXHCRMV-BFHYXJOUSA-N |
| SMILES: | c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)[N+](=O)[O-]; c1cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-]; c2(CC(N)C(NC(C(c1ccc([N+]([O-])=O)cc1)O)CO)=O)ncnc2; N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CO)[C@H](O)c2ccc(cc2)[N+]([O-])=O; N[CH](Cc1c[nH]cn1)C(=O)N[CH](CO)[CH](O)c2ccc(cc2)[N+]([O-])=O |
| Name: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide |
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