| SpectraBase Spectrum ID |
GLco9j6yiYK |
| Name |
Pentanoic acid, 5-[[2-(1,1-dimethylethoxy)-1-methyl-2-oxoethyl]amino]-5-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, [R-(R*,S*)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.252251500 u |
| Formula |
C24H36N2O7 |
| InChI |
InChI=1S/C24H36N2O7/c1-16(21(29)33-24(5,6)7)25-19(27)13-18(14-20(28)32-23(2,3)4)26-22(30)31-15-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3,(H,25,27)(H,26,30)/t16-,18+/m1/s1 |
| InChIKey |
DQJPTUCOBOQREQ-AEFFLSMTSA-N |
| Molecular Weight |
464.559 g/mol |
| SMILES |
C(OC(C)(C)C)([C@](NC(C[C@@](CC(OC(C)(C)C)=O)(NC(=O)OCC1=CC=CC=C1)[H])=O)(C)[H])=O |
![Pentanoic acid, 5-[[2-(1,1-dimethylethoxy)-1-methyl-2-oxoethyl]amino]-5-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, [R-(R*,S*)]-](/api/spectrum/GLco9j6yiYK/structure.png?h=300&w=458 "Pentanoic acid, 5-[[2-(1,1-dimethylethoxy)-1-methyl-2-oxoethyl]amino]-5-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, [R-(R*,S*)]-")
