FJB
Summary
| Name: | [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
| Formula: | C14 H20 N7 O2 |
| Formal charge: | 1 |
| Formula weight: | 318.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | YIHNPEJJALKKOD-GFCCVEGCSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]NC(=O)[C@H](NC(=O)CCCCc1ccccc1)c2n[nH]nn2 |
| SMILES | CACTVS | 3.385 | [NH3+]NC(=O)[CH](NC(=O)CCCCc1ccccc1)c2n[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCCCC(=O)NC(c2n[nH]nn2)C(=O)N[NH3+] |
