| SpectraBase Spectrum ID |
76CWF5MLyBJ |
| Name |
1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(1-phenylethyl)amino]propyl]-, 1,1-dimethylethyl ester, [R-(Z)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.278406679 u |
| Formula |
C29H37N3O4 |
| InChI |
InChI=1S/C29H37N3O4/c1-8-21-18(3)27(34)32-24(21)16-23-17(2)22(26(31-23)28(35)36-29(5,6)7)14-15-25(33)30-19(4)20-12-10-9-11-13-20/h9-13,16,19,31H,8,14-15H2,1-7H3,(H,30,33)(H,32,34)/b24-16-/t19-/m1/s1 |
| InChIKey |
BXLKTFSSNPAYHC-VKINRBECSA-N |
| Molecular Weight |
491.632 g/mol |
| SMILES |
C=1(NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(N[C@@](C1=CC=CC=C1)(C)[H])=O)C)C(OC(C)(C)C)=O |
![1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(1-phenylethyl)amino]propyl]-, 1,1-dimethylethyl ester, [R-(Z)]-](/api/spectrum/76CWF5MLyBJ/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxo-3-[(1-phenylethyl)amino]propyl]-, 1,1-dimethylethyl ester, [R-(Z)]-")
