1VP
Summary
| Name: | N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine |
| Formula: | C18 H25 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 363.408 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine |
| OpenEye OEToolkits | 1.7.6 | (2S)-6-acetamido-2-[2-(2-phenylethanoylamino)ethanoylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(=O)NC(C(=O)O)CCCCNC(=O)C)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C18H25N3O5/c1-13(22)19-10-6-5-9-15(18(25)26)21-17(24)12-20-16(23)11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | VCECDMBCQWWZKG-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCCC[CH](NC(=O)CNC(=O)Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)Cc1ccccc1 |
