LSB
Summary
| Name: | (4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one |
| Synonyms: | (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
| Formula: | C29 H43 N O6 |
| Formal charge: | 0 |
| Formula weight: | 501.655 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R,5S)-3-{(2R,3S,4S)-2-ethyl-5-[(2R,3R)-2-ethyl-3-{2-[(2R,3R)-2-ethyl-3-methyloxiran-2-yl]ethyl}oxiran-2-yl]-3-hydroxy-4-methylpentanoyl}-4-methyl-5-phenyl-1,3-oxazolidin-2-one (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2OC(c1ccccc1)C(N2C(=O)C(CC)C(O)C(C)CC4(OC4CCC3(OC3C)CC)CC)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]([C@@H](O)[C@@H](C)C[C@@]1(CC)O[C@@H]1CC[C@@]2(CC)O[C@@H]2C)C(=O)N3[C@H](C)[C@@H](OC3=O)c4ccccc4 |
| SMILES | CACTVS | 3.370 | CC[CH]([CH](O)[CH](C)C[C]1(CC)O[CH]1CC[C]2(CC)O[CH]2C)C(=O)N3[CH](C)[CH](OC3=O)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C(C(C)CC1(C(O1)CCC2(C(O2)C)CC)CC)O)C(=O)N3C(C(OC3=O)c4ccccc4)C |
| InChI | InChI | 1.03 | InChI=1S/C29H43NO6/c1-7-22(26(32)30-19(5)25(34-27(30)33)21-13-11-10-12-14-21)24(31)18(4)17-29(9-3)23(36-29)15-16-28(8-2)20(6)35-28/h10-14,18-20,22-25,31H,7-9,15-17H2,1-6H3/t18-,19+,20+,22+,23+,24-,25+,28+,29+/m0/s1 |
| InChIKey | InChI | 1.03 | PLMSSXURLNIBST-CWZDORBJSA-N |
