9DQ
Summary
| Name: | (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid |
| Formula: | C4 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 157.131 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | UHDMAEPGMOIEHH-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1[nH]nnn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1[nH]nnn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(c1[nH]nnn1)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(c1[nH]nnn1)C(C(=O)O)N |
