| SpectraBase Spectrum ID |
HUnjyRTDTWg |
| Name |
1H-Pyrrole-2-carboxylic acid, 3-[3-[[2-ethoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-3-oxopropyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, 1,1-dimethylethyl ester, [S-(Z)]- |
| CAS Registry Number |
100923-18-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H41N3O6 |
| InChI |
InChI=1S/C32H41N3O6/c1-8-22-20(4)29(37)35-25(22)18-24-19(3)23(28(34-24)31(39)41-32(5,6)7)15-16-27(36)33-26(30(38)40-9-2)17-21-13-11-10-12-14-21/h10-14,18,26,34H,8-9,15-17H2,1-7H3,(H,33,36)(H,35,37)/b25-18-/t26-/m0/s1 |
| InChIKey |
PXDAUFHCGQSWNF-UEWRSKAFSA-N |
| Molecular Weight |
563.695 g/mol |
| SMILES |
[nH]1c(c(CCC(N[C@](C(=O)OCC)(Cc2ccccc2)[H])=O)c(C)c1\C=C/1NC(C(=C1CC)C)=O)C(OC(C)(C)C)=O |
| SPLASH |
splash10-0btc-7131290000-2953bdfe7aed8d33fffb |
| Source of Spectrum |
AH-116-1080-23 |
| Synonyms |
(Z)-3-Ethyl-3',4-dimethyl-5'-t-butoxycarbonyl-4'-[N-(S)-phenylalanine-ethylester-aminocarbonyl-2-ethyl]-5-(1H)-2,2'-pyrromethenone
tert-Butyl 3-(3-{[(1S)-1-benzyl-2-ethoxy-2-oxoethyl]amino}-3-oxopropyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate |
| Wiley ID |
1407046 |
![1H-Pyrrole-2-carboxylic acid, 3-[3-[[2-ethoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-3-oxopropyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, 1,1-dimethylethyl ester, [S-(Z)]-](/api/spectrum/HUnjyRTDTWg/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 3-[3-[[2-ethoxy-2-oxo-1-(phenylmethyl)ethyl]amino]-3-oxopropyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, 1,1-dimethylethyl ester, [S-(Z)]-")
