G19
Summary
| Name: | (2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5-DIHYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROP[1]ENOCYCLOPENTA[8]ANNULEN-8-YL [(6-AMINOPYRIDAZIN-3-YL)CARBONYL]CARBAMATE |
| Formula: | C26 H34 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 498.571 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3aR,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-2,5-dihydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-prop[1]enocyclopenta[8]annulen-8-yl [(6-aminopyridazin-3-yl)carbonyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1nnc(N)cc1)NC(=O)OC4CC(\C=C)(C)C(O)C(C)C23C=CC(C)C4(C)C3C(=O)C(O)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1C=C[C@@]23C[C@H](O)C(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)NC(=O)c4ccc(N)nn4 |
| SMILES | CACTVS | 3.341 | C[CH]1C=C[C]23C[CH](O)C(=O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3C)OC(=O)NC(=O)c4ccc(N)nn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1C=C[C@@]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C=CC23CC(C(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)NC(=O)c4ccc(nn4)N)C)O |
| InChI | InChI | 1.03 | InChI=1S/C26H34N4O6/c1-6-24(4)12-17(36-23(35)28-22(34)15-7-8-18(27)30-29-15)25(5)13(2)9-10-26(14(3)21(24)33)11-16(31)19(32)20(25)26/h6-10,13-14,16-17,20-21,31,33H,1,11-12H2,2-5H3,(H2,27,30)(H,28,34,35)/t13-,14+,16+,17-,20+,21+,24-,25+,26+/m1/s1 |
| InChIKey | InChI | 1.03 | UQIPGFDHSLPFHW-YEAQTOLVSA-N |
