A1IOR
Summary
| Name: | ~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide |
| Formula: | C16 H26 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 322.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H26N4O3/c1-11(2)8-13(21)15(23)18-10-16(5-3-6-16)9-17-14(22)12-4-7-19-20-12/h4,7,11,13,21H,3,5-6,8-10H2,1-2H3,(H,17,22)(H,18,23)(H,19,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | KRVZBIVUDPLYIR-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](O)C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](O)C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NCC1(CCC1)CNC(=O)c2cc[nH]n2)O |
