| SpectraBase Spectrum ID |
KB8ZPkVv2Zm |
| Name |
{(1S,2R)-2-[(R)-Cyano-[((4S,5S)-2,2-dimethyl-4-phenyl-[1,3]dioxan-5-yl)-methyl-amino]-(4-methoxy-phenyl)-methyl]-6-oxo-cyclohexyl}-acetic acid methyl ester |
| Alternate Name(s) |
(S,S,R,R,S)-(+)-[N-(2,2-Dimethyl-4-phenyl-1,2-dioxan-5-yl)-N-methylamino].alpha.-(4'-methoxyphenyl).alpha.-[2-(methoxycarbonylmethyl)-3-oxocyclohexyl]acetonitrile
Methyl {(1S,2R)-2-[(R)-cyano[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl](methyl)amino](4-methoxyphenyl)methyl]-6-oxocyclohexyl}acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H38N2O6 |
| InChI |
InChI=1S/C31H38N2O6/c1-30(2)38-19-26(29(39-30)21-10-7-6-8-11-21)33(3)31(20-32,22-14-16-23(36-4)17-15-22)25-12-9-13-27(34)24(25)18-28(35)37-5/h6-8,10-11,14-17,24-26,29H,9,12-13,18-19H2,1-5H3/t24-,25+,26-,29-,31-/m0/s1 |
| InChIKey |
IBOFPSMHFTYKJV-CBRMOCHISA-N |
| Molecular Weight |
534.653 g/mol |
| SMILES |
[C@@](N([C@@]1([C@@](OC(OC1)(C)C)(c1ccccc1)[H])[H])C)([C@]1([C@@](C(=O)CCC1)(CC(=O)OC)[H])[H])(C#N)c1ccc(cc1)OC |
| SPLASH |
splash10-001l-7294100000-8e772af575b6382d6d16 |
| Source of Spectrum |
SO-0-662-4 |
| Wiley ID |
873049 |
![{(1S,2R)-2-[(R)-Cyano-[((4S,5S)-2,2-dimethyl-4-phenyl-[1,3]dioxan-5-yl)-methyl-amino]-(4-methoxy-phenyl)-methyl]-6-oxo-cyclohexyl}-acetic acid methyl ester](/api/spectrum/KB8ZPkVv2Zm/structure.png?h=300&w=458 "{(1S,2R)-2-[(R)-Cyano-[((4S,5S)-2,2-dimethyl-4-phenyl-[1,3]dioxan-5-yl)-methyl-amino]-(4-methoxy-phenyl)-methyl]-6-oxo-cyclohexyl}-acetic acid methyl ester")
