KNH
Summary
| Name: | Myxovirescin A |
| Formula: | C35 H61 N O8 |
| Formal charge: | 0 |
| Formula weight: | 623.861 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},6~{S},8~{S},9~{R},12~{Z},14~{Z},16~{R},25~{R},27~{S})-16-ethyl-12-(methoxymethyl)-25,27-dimethyl-6,8,9-tris(oxidanyl)-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10-,28-16-/t25-,26+,27+,30+,31-,32+,33+/m1/s1 |
| InChIKey | InChI | 1.03 | VQWNGCSUNKJFLW-ROEOKSPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C\C=C(\CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O)COC |
| SMILES | CACTVS | 3.385 | CCC[CH]1OC(=O)[CH](C)C[CH](C)CCCCC(=O)CCC[CH](CC)C=CC=C(CC[CH](O)[CH](O)C[CH](O)CNC1=O)COC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C\[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCCCC(CC(C(=O)O1)C)C)CC)COC)O)O)O |
