V5N
(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
| Created: | 2021-04-19 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 2 |
| Bond Count | 21 |
| Aromatic Bond Count | 5 |
Chemical Component Summary | |
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| Name | (2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid |
| Systematic Name (OpenEye OEToolkits) | (2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid |
| Formula | C6 H9 N3 O3 |
| Molecular Weight | 171.154 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)c1[nH]cnc1)C(O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)C(C(C(=O)O)N)O |
| Canonical SMILES | CACTVS | 3.385 | N[C@@H]([C@H](O)c1[nH]cnc1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | KQMBIBBJWXGSEI-CRCLSJGQSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 10219610, 10219609 |














