(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-DIESTER;ROTAMER-#1
Compound with spectra: 1 NMR
![(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-DIESTER;ROTAMER-#1](/api/compound/BloWX5TRI5g.png?ph=true&h=300&w=458 "(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPARTATE]-DIESTER;ROTAMER-#1")
| SpectraBase Compound ID | BloWX5TRI5g |
|---|---|
| InChI | InChI=1S/C31H45N5O12/c1-31(2,3)48-30(45)35-21(16-19-10-8-7-9-11-19)27(42)32-15-14-23(37)33-20(28(43)46-5)12-13-25(39)36(4)18-24(38)34-22(17-26(40)41)29(44)47-6/h7-11,20-22H,12-18H2,1-6H3,(H,32,42)(H,33,37)(H,34,38)(H,35,45)(H,40,41)/t20-,21+,22+/m1/s1 |
| InChIKey | OOEQIIYZCGBVQN-FSSWDIPSSA-N |
| Mol Weight | 679.7 g/mol |
| Molecular Formula | C31H45N5O12 |
| Exact Mass | 679.306472 g/mol |
| Enantiomer InChIKey | OOEQIIYZCGBVQN-BHDDXSALSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-L-2-METHYLHISTIDINE-METHYLESTER,N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-D-2
N-[N-(TERT.-BUTOXYCARBONYL)-L-PHENYLALANYL-(BETA-O-ACETYL)-L-SERYL]-O-TERT.-BUTYL-L-VALIN
BOC-PHE-LYS-(N-EPSILON-CBZ)-LEU-GLY-OET
BOC-PHE-CYS((O)ME)-SER(TERT.-BUTYL)-O(TERT.-BUTYL)
TEOC-(NO2)NLE-PHE-VAL-OME
N-[N-(TERT.-BUTOXYCARBONYL)-L-VALYL-(BETA-O-ACETYL)-L-SERYL]-O-TERT.-BUTYL-L-PHENYLALANIN
N-(ALPHA)-(TERT.-BUTOXYCARBONYL)-O-(TERT.-BUTYL)-GLUTAMYL-O-(BENZYL)-SERYLLEUCINE-TERT.-BUTYLESTER
BOC-PHE-AZAPHE-ALA-OME
BOC-D-PHE-AZAPHE-ALA-OME
| Title | Journal or Book | Year |
|---|---|---|
| Design and preparation of serine–threonine protein phosphatase inhibitors based upon the nodularin and microcystin toxin structures: Part 1. Evaluation of key inhibitory features and synthesis of a rationally stripped-down nodularin macrocycle | Journal of the Chemical Society, Perkin Transactions 1 | 1997 |