H8T
Summary
| Name: | Virginiamycin M |
| Formula: | C28 H33 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 523.578 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (10~{R},11~{R},12~{E},17~{E},19~{E},21~{S})-11,19-dimethyl-21-oxidanyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),4,6,12,17,19,25(28)-heptaene-2,8,14,23-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H33N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-10,12-13,16-17,19-20,26,32H,11,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1 |
| InChIKey | InChI | 1.06 | CNTGCXRBDCXZRN-FQTGFAPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]1C)n3 |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C)C)O)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)n3cccc3C(=O)OC1C(C)C)O)C |
