MEA
N-METHYLPHENYLALANINE
Created: | 2002-06-19 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 1 |
Bond Count | 26 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-METHYLPHENYLALANINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-(methylamino)-3-phenyl-propanoic acid |
Formula | C10 H13 N O2 |
Molecular Weight | 179.216 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC)Cc1ccccc1 |
SMILES | CACTVS | 3.370 | CN[CH](Cc1ccccc1)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CNC(Cc1ccccc1)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | CN[C@@H](Cc1ccccc1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CN[C@@H](Cc1ccccc1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | SCIFESDRCALIIM-VIFPVBQESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6951134, 6951135 |
ChEMBL | CHEMBL1234265 |
ChEBI | CHEBI:43980, CHEBI:61883 |