YQI
(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
Created: | 2023-06-20 |
Last modified: | 2024-01-10 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid |
Formula | C8 H11 N3 O3 |
Molecular Weight | 197.191 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC[CH](NC(=O)c1cc[nH]n1)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C(=O)O)NC(=O)c1cc[nH]n1 |
Canonical SMILES | CACTVS | 3.385 | CC[C@H](NC(=O)c1cc[nH]n1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C(=O)O)NC(=O)c1cc[nH]n1 |
InChI | InChI | 1.06 | InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1 |
InChIKey | InChI | 1.06 | ASNWLZWZIDHNOQ-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 81658947 |