004
(2S)-amino(phenyl)ethanoic acid
| Created: | 2010-04-27 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 20 |
| Chiral Atom Count | 1 |
| Bond Count | 20 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2S)-amino(phenyl)ethanoic acid |
| Synonyms | L-Phenylglycine |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-2-phenyl-ethanoic acid |
| Formula | C8 H9 N O2 |
| Molecular Weight | 151.163 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)c1ccccc1 |
| SMILES | CACTVS | 3.370 | N[CH](C(O)=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.370 | N[C@H](C(O)=O)c1ccccc1 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZGUNAGUHMKGQNY-ZETCQYMHSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 6931074, 99291 |
| ChEMBL | CHEMBL378605 |
| ChEBI | CHEBI:136765, CHEBI:439819 |
| CCDC/CSD | WIHJII, XALCOC01, XALDAP, HAZGIZ, NILXUB, BALNEK, RENKUQ, FAPMOZ, TEHYUA, UMUXAD, FAPMIT, XALCOC, WUCDEG, IROVEQ, XALCUI, GACVIP |
