PRD_000230
Summary
| Name: | N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide |
| Formula: | C12 H22 N4 O5 |
| Formal charge: | 0 |
| Fomular weight: | 302.327 |
| Component type: | peptide-like |
| Polymer sequences: | HMI, ALA, GLY, NH2 |
| Non-polymer components: | |
| BIRD class: | Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_000103 |
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamide |
| OpenEye OEToolkits | 1.6.1 | (2S)-N-[(2S)-1-[(2-amino-2-oxo-ethyl)amino]-1-oxo-propan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CNC(=O)C(NC(=O)C(C(=O)NO)CC(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)C[C@@H](C(=O)NO)C(=O)N[C@H](C)C(=O)NCC(N)=O |
| SMILES | CACTVS | 3.352 | CC(C)C[CH](C(=O)NO)C(=O)N[CH](C)C(=O)NCC(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | FGSNBBSHVNLDMX-YUMQZZPRSA-N |
