0GR
Summary
| Name: | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan |
| Formula: | C22 H25 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 411.451 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-[[(2S)-2-(furan-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NC(C(=O)O)Cc2c1ccccc1nc2)CC(C)C)c3occc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)c1occc1)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)c1occc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)c3ccco3 |
| InChI | InChI | 1.03 | InChI=1S/C22H25N3O5/c1-13(2)10-17(24-21(27)19-8-5-9-30-19)20(26)25-18(22(28)29)11-14-12-23-16-7-4-3-6-15(14)16/h3-9,12-13,17-18,23H,10-11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | ULCATSBNAQXWKO-ROUUACIJSA-N |
