A1JO8
Summary
| Name: | (2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| Formula: | C30 H41 N5 O7 |
| Formal charge: | 0 |
| Formula weight: | 583.676 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-1-[(2~{R})-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[(1~{S})-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H41N5O7/c1-19(2)28(26-17-27(33-42-26)41-15-14-40-13-12-39-5)30(38)35-18-24(36)16-25(35)29(37)32-20(3)22-6-8-23(9-7-22)34-11-10-31-21(34)4/h6-11,17,19-20,24-25,28,36H,12-16,18H2,1-5H3,(H,32,37)/t20-,24+,25-,28+/m0/s1 |
| InChIKey | InChI | 1.06 | SHSJEHQOINBVOB-MPLXTJOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOCCOc1cc(on1)[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c3ccc(cc3)n4ccnc4C |
| SMILES | CACTVS | 3.385 | COCCOCCOc1cc(on1)[CH](C(C)C)C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](C)c3ccc(cc3)n4ccnc4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nccn1c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](c4cc(no4)OCCOCCOC)C(C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nccn1c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(c4cc(no4)OCCOCCOC)C(C)C)O |
