JVH
Summary
| Name: | 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide |
| Formula: | C23 H27 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 425.478 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(1~{R},2~{S},6~{R},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]-~{N}-[[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20+,21-/m1/s1 |
| InChIKey | InChI | 1.03 | BOGJVTQQRCPUBE-MZBUVPGESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CO[C@@H]2C[C@H]1Nc3ccc(CNC(=O)CN4C(=O)[C@@H]5[C@H]6CC[C@H](C6)[C@@H]5C4=O)cc23 |
| SMILES | CACTVS | 3.385 | O[CH]1CO[CH]2C[CH]1Nc3ccc(CNC(=O)CN4C(=O)[CH]5[CH]6CC[CH](C6)[CH]5C4=O)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNC(=O)CN3C(=O)C4C5CCC(C5)C4C3=O)C6CC(N2)C(CO6)O |
