A1H5N
2-Imino-2-phenylethanol-lysine
| Created: | 2024-03-04 |
| Last modified: | 2025-03-12 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 39 |
| Chiral Atom Count | 1 |
| Bond Count | 39 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 2-Imino-2-phenylethanol-lysine |
| Synonyms | (2S)-2-azanyl-6-[(E)-(2-oxidanyl-1-phenyl-ethylidene)amino]hexanoic acid |
| Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-6-[(~{E})-(2-oxidanyl-1-phenyl-ethylidene)amino]hexanoic acid |
| Formula | C14 H20 N2 O3 |
| Molecular Weight | 264.32 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | N[CH](CCCCN=C(CO)c1ccccc1)C(O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=NCCCCC(C(=O)O)N)CO |
| Canonical SMILES | CACTVS | 3.385 | N[C@@H](CCCCN=C(CO)c1ccccc1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C(=N\CCCC[C@@H](C(=O)O)N)/CO |
| InChI | InChI | 1.06 | InChI=1S/C14H20N2O3/c15-12(14(18)19)8-4-5-9-16-13(10-17)11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10,15H2,(H,18,19)/b16-13-/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | SASXLASNAWAAOC-OFEBGVABSA-N |
