| PDB CCD ID: | NJW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H17 N3 O7 |
| InChI: | InChI=1S/C24H17N3O7/c25-20(13-4-2-1-3-5-13)19-21(14-6-8-15(9-7-14)27(33)34)26(23(30)22(19)29)16-10-11-18(28)17(12-16)24(31)32/h1-12,21,28H,25H2,(H,31,32)/b20-19-/t21-/m1/s1 |
| InChIKey: | LSUDXEOVUGYZBL-KEDKVEHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C(=C2C(N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])N | | CACTVS 3.385 | NC(c1ccccc1)=C2[CH](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O | | CACTVS 3.385 | NC(/c1ccccc1)=C2/[C@H](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O |
|
| Name: | 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid |
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