NWM
Summary
| Name: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate |
| Formula: | C32 H51 N O8 |
| Formal charge: | 0 |
| Formula weight: | 577.749 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate |
| OpenEye OEToolkits | 1.7.6 | [(3R,4S,5R,6S,10R,11R,12R)-11-acetyloxy-14-[methanoyl(methyl)amino]-4,6,10,12-tetramethyl-5-oxidanyl-9-oxidanylidene-1-phenylmethoxy-tetradecan-3-yl] propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CN(C)CCC(C)C(OC(=O)C)C(C(=O)CCC(C)C(O)C(C)C(OC(=O)CC)CCOCc1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C32H51NO8/c1-8-30(37)41-29(17-19-39-20-27-12-10-9-11-13-27)25(5)31(38)22(2)14-15-28(36)24(4)32(40-26(6)35)23(3)16-18-33(7)21-34/h9-13,21-25,29,31-32,38H,8,14-20H2,1-7H3/t22-,23+,24-,25+,29+,31+,32+/m0/s1 |
| InChIKey | InChI | 1.03 | XTSMHDZMNHFSNK-YEERNSKASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCN(C)C=O |
| SMILES | CACTVS | 3.370 | CCC(=O)O[CH](CCOCc1ccccc1)[CH](C)[CH](O)[CH](C)CCC(=O)[CH](C)[CH](OC(C)=O)[CH](C)CCN(C)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN(C)C=O)OC(=O)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)OC(CCOCc1ccccc1)C(C)C(C(C)CCC(=O)C(C)C(C(C)CCN(C)C=O)OC(=O)C)O |
