FL6
(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Created: | 2020-06-02 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 1 |
Bond Count | 18 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid |
Formula | C5 H9 N O4 |
Molecular Weight | 147.129 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COC(=O)C[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | COC(=O)C[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | SBRYFUVVWOMLLP-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6994658, 97368 |