[(2R)-N-(TERT.-BUTOXYCARBONYL)-ALPHA-METHYLASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSINE-DIESTER;ROTAMER-#2;COMPOUN
Compound with spectra: 1 NMR
![[(2R)-N-(TERT.-BUTOXYCARBONYL)-ALPHA-METHYLASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSINE-DIESTER;ROTAMER-#2;COMPOUN](/api/compound/BfiSn1zBC6C.png?ph=true&h=300&w=458 "[(2R)-N-(TERT.-BUTOXYCARBONYL)-ALPHA-METHYLASPARTYL]-BETA-(2S)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSINE-DIESTER;ROTAMER-#2;COMPOUN")
| SpectraBase Compound ID | BfiSn1zBC6C |
|---|---|
| InChI | InChI=1S/C31H45N5O12/c1-31(2,3)48-30(45)35-22(29(44)47-6)17-24(38)34-21(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)18-26(40)41/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+/m0/s1 |
| InChIKey | KQEWHTSWSQESPC-FDFHNCONSA-N |
| Mol Weight | 679.7 g/mol |
| Molecular Formula | C31H45N5O12 |
| Exact Mass | 679.306472 g/mol |
| Enantiomer InChIKey | KQEWHTSWSQESPC-VSKRKVRLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
di-tert-butyl 2-(2-(2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)-4-methylpentanamido)pentanedioate
L-Phenylalanine, N-[N-[N-[N-[3-[4-(diethylamino)phenyl]-2-propenylidene]-L-phenylalanyl]-L-phenylalanyl]-L-phenylalanyl]-, ethyl ester
N-ACETYL-RODRIGUESINE-A
RODRIGUESINE-B
DIANTHIN-A;CYClO-(ALANYL-TYROSYL-ASPARAGINYL-PHENYLALANYL-GLYCYL-LEUCYL)
Benzenepropanoic acid, .alpha.-[3-(t-butoxycarbonylamino)pyrrolidin-2-on-1-yl]-, methyl ester
GRSPCLQQQWMGCZ-DJQAVYROSA-N
N-METHYL-(R)-2-[(R)-2-(HYDROXYAMINO)-1-(ACETYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE
Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl-(S)-alanyl)amino]-3-(t-butyl)-6-methyl-, ethyl ester
| 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 |