| PDB CCD ID: | ZNP |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H12 N2 O3 |
| InChI: | InChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1 |
| InChIKey: | JJVMCABGSUOHSC-SECBINFHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC(C[N+](=O)[O-])C(=O)N | | CACTVS 3.341 | NC(=O)[CH](Cc1ccccc1)C[N+]([O-])=O | | CACTVS 3.341 | NC(=O)[C@H](Cc1ccccc1)C[N+]([O-])=O | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)N | | ACDLabs 10.04 | [O-][N+](=O)CC(C(=O)N)Cc1ccccc1 |
|
| Name: | (2R)-2-benzyl-3-nitropropanamide |
| ChEMBL: | CHEMBL1236974 |
| ZINC: | ZINC000058649722 |
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