| SpectraBase Spectrum ID |
6iy6lMhOqdh |
| Name |
1H-Pyrrole-2-carboxylic acid, 3-[3-[[6-ethoxy-6-oxo-5-[[(phenylmethoxy)carbonyl]amino]hexyl]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)]- |
| Alternate Name(s) |
(Z)-3-Ethyl-3',4-dimethyl-5'-t-butoxycarbonyl-4'-[N-(S)-n(.alpha.)-z-lysinethylester-aminocarbonyl-2-ethyl]-5-(1H)-2,2'-pyrromethenone
tert-Butyl 3-{3-[((5S)-5-{[(benzyloxy)carbonyl]amino}-6-ethoxy-6-oxohexyl)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 |
| CAS Registry Number |
100923-16-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H50N4O8 |
| InChI |
InChI=1S/C37H50N4O8/c1-8-26-24(4)33(43)40-30(26)21-29-23(3)27(32(39-29)35(45)49-37(5,6)7)18-19-31(42)38-20-14-13-17-28(34(44)47-9-2)41-36(46)48-22-25-15-11-10-12-16-25/h10-12,15-16,21,28,39H,8-9,13-14,17-20,22H2,1-7H3,(H,38,42)(H,40,43)(H,41,46)/b30-21-/t28-/m0/s1 |
| InChIKey |
PBJNSVMICFVMFV-NOBXOBCGSA-N |
| Molecular Weight |
678.827 g/mol |
| SMILES |
[nH]1c(c(CCC(=O)NCCCC[C@](NC(=O)OCc2ccccc2)(C(=O)OCC)[H])c(C)c1\C=C/1NC(C(=C1CC)C)=O)C(OC(C)(C)C)=O |
| SPLASH |
splash10-052f-9110100000-225196fe593e8d5fb7a0 |
| Source of Spectrum |
AH-116-1079-21 |
| Wiley ID |
1414266 |
![1H-Pyrrole-2-carboxylic acid, 3-[3-[[6-ethoxy-6-oxo-5-[[(phenylmethoxy)carbonyl]amino]hexyl]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/6iy6lMhOqdh/structure.png?h=300&w=458 "1H-Pyrrole-2-carboxylic acid, 3-[3-[[6-ethoxy-6-oxo-5-[[(phenylmethoxy)carbonyl]amino]hexyl]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)]-")
