| SpectraBase Spectrum ID |
5Iv86WBRZx4 |
| 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-[[1-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]-, 1,1-dimethylethyl ester, [R-(Z)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
536.263484889 u |
| Formula |
C29H36N4O6 |
| InChI |
InChI=1S/C29H36N4O6/c1-8-21-17(3)27(35)32-24(21)15-23-16(2)22(26(31-23)28(36)39-29(5,6)7)13-14-25(34)30-18(4)19-9-11-20(12-10-19)33(37)38/h9-12,15,18,31H,8,13-14H2,1-7H3,(H,30,34)(H,32,35)/b24-15-/t18-/m1/s1 |
| InChIKey |
AHGJLEQFVSDQRU-BEXDPUPVSA-N |
| Molecular Weight |
536.629 g/mol |
| SMILES |
C=1(NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(N[C@@](C1=CC=C(N(=O)=O)C=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-[[1-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]-, 1,1-dimethylethyl ester, [R-(Z)]-](/api/spectrum/5Iv86WBRZx4/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-[[1-(4-nitrophenyl)ethyl]amino]-3-oxopropyl]-, 1,1-dimethylethyl ester, [R-(Z)]-")
