2GX
beta-phenyl-L-phenylalanine
Created: | 2013-02-15 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 1 |
Bond Count | 34 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | beta-phenyl-L-phenylalanine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-3,3-diphenyl-propanoic acid |
Formula | C15 H15 N O2 |
Molecular Weight | 241.285 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(c1ccccc1)c2ccccc2 |
SMILES | CACTVS | 3.370 | N[CH](C(c1ccccc1)c2ccccc2)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N |
Canonical SMILES | CACTVS | 3.370 | N[C@@H](C(c1ccccc1)c2ccccc2)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | PECGVEGMRUZOML-AWEZNQCLSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7010705, 162977 |