HJH
(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
Created: | 2018-12-10 |
Last modified: | 2019-04-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 1 |
Bond Count | 23 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid |
Formula | C6 H10 N4 O3 |
Molecular Weight | 186.169 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cn1nc(O)c(C[CH](N)C(O)=O)n1 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1nc(c(n1)O)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | Cn1nc(O)c(C[C@H](N)C(O)=O)n1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | Cn1nc(c(n1)O)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | INIGHNGDJJNUCU-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137796785 |