A1I03
Summary
| Name: | ~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide |
| Formula: | C15 H21 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 319.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H21N5O3/c1-11(20-7-3-4-8-20)13(21)16-9-15(2,23)10-17-14(22)12-5-6-18-19-12/h3-8,11,23H,9-10H2,1-2H3,(H,16,21)(H,17,22)(H,18,19)/t11-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | HVZURVFJLUBVNS-NHYWBVRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](n1cccc1)C(=O)NC[C@](C)(O)CNC(=O)c2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | C[CH](n1cccc1)C(=O)NC[C](C)(O)CNC(=O)c2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)NC[C@@](C)(CNC(=O)c1cc[nH]n1)O)n2cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NCC(C)(CNC(=O)c1cc[nH]n1)O)n2cccc2 |
