BXT
(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
Created: | 2017-10-30 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 1 |
Bond Count | 26 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid |
Formula | C7 H14 N2 O4 |
Molecular Weight | 190.197 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCN(C)C(=O)OC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(C)C(=O)OCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | CCN(C)C(=O)OC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CCN(C)C(=O)OC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-4-5(8)6(10)11/h5H,3-4,8H2,1-2H3,(H,10,11)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | UYBASDIYBHKZCX-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349037 |