E2G
Summary
| Name: | (2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide |
| Formula: | C15 H20 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 332.358 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-[(4-{2-[(acetylamino)methyl]phenyl}-5-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-amino-2-hydroxyacetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[4-[2-(acetamidomethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-2-azanyl-2-oxidanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(C(N)O)=O)c1nnc(C)n1c2c(cccc2)CNC(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H20N6O3/c1-9-19-20-13(8-18-15(24)14(16)23)21(9)12-6-4-3-5-11(12)7-17-10(2)22/h3-6,14,23H,7-8,16H2,1-2H3,(H,17,22)(H,18,24)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | PQGQFFWWFJTNFO-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1ccccc1n2c(C)nnc2CNC(=O)[C@H](N)O |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1ccccc1n2c(C)nnc2CNC(=O)[CH](N)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nnc(n1c2ccccc2CNC(=O)C)CNC(=O)C(N)O |
