| PDB CCD ID: | ZFB |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H18 N3 O3 |
| InChI: | InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1 |
| InChIKey: | VLIGBVLLNSWVMI-MRXNPFEDSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.5 | c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2ccccc2 | | ACDLabs 10.04 | N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2 | | CACTVS 3.385 | O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2 | | CACTVS 3.385 | O=C(N[CH](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2 | | OpenEye OEToolkits 1.7.5 | c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2 |
|
| Name: | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM |
| DrugBank: | DB02766 |
| ZINC: | ZINC000103562579 |
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