| SpectraBase Spectrum ID |
KvxhSQlSWl |
| Name |
(3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpiperidin-2-yl]-4-(imidazol-2-ylthiocarbonyloxy)oxepan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H29N3O5S |
| InChI |
InChI=1S/C24H29N3O5S/c1-16(28)31-19-10-14-30-23(29)20(21(19)32-24(33)22-25-11-12-26-22)18-9-5-6-13-27(18)15-17-7-3-2-4-8-17/h2-4,7-8,11-12,18-21H,5-6,9-10,13-15H2,1H3,(H,25,26)/t18-,19+,20-,21-/m1/s1 |
| InChIKey |
GFXHFSNMWGRWGP-PLACYPQZSA-N |
| Molecular Weight |
471.572 g/mol |
| SMILES |
[nH]1ccnc1C(O[C@]1([C@@]([C@@]2(N(Cc3ccccc3)CCCC2)[H])(C(OCC[C@@]1(OC(=O)C)[H])=O)[H])[H])=S |
| SPLASH |
splash10-006x-9520000000-53811db45338b16982d7 |
| Source of Spectrum |
K1-2004-4228-43 |
| Synonyms |
Acetic acid [(4S,5S,6R)-5-[1H-imidazol-2-yl(sulfanylidene)methoxy]-7-oxo-6-[(2R)-1-(phenylmethyl)-2-piperidinyl]-4-oxepanyl] ester
[(4S,5S,6R)-6-[(2R)-1-benzylpiperidin-2-yl]-5-(1H-imidazole-2-carbothioyloxy)-7-oxooxepan-4-yl] acetate
[(4S,5S,6R)-6-[(2R)-1-benzyl-2-piperidyl]-5-(1H-imidazole-2-carbothioyloxy)-7-oxo-oxepan-4-yl] acetate
[(4S,5S,6R)-5-(1H-imidazol-2-ylcarbothioyloxy)-7-oxidanylidene-6-[(2R)-1-(phenylmethyl)piperidin-2-yl]oxepan-4-yl] ethanoate |
| Wiley ID |
1561677 |
![(3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpiperidin-2-yl]-4-(imidazol-2-ylthiocarbonyloxy)oxepan-2-one](/api/spectrum/KvxhSQlSWl/structure.png?h=300&w=458 "(3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpiperidin-2-yl]-4-(imidazol-2-ylthiocarbonyloxy)oxepan-2-one")
