| SpectraBase Spectrum ID |
8r5lLnAttoL |
| Name |
(2S)-4-(methylthio)-2-[[4-[4-(4-nitrophenyl)butanoylamino]benzoyl]amino]butyric acid methyl ester |
| Alternate Name(s) |
(2S)-4-(methylthio)-2-[[[4-[[4-(4-nitrophenyl)-1-oxobutyl]amino]phenyl]-oxomethyl]amino]butanoic acid methyl ester
Methyl (2S)-4-methylsulfanyl-2-[[4-[4-(4-nitrophenyl)butanoylamino]phenyl]carbonylamino]butanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27N3O6S |
| InChI |
InChI=1S/C23H27N3O6S/c1-32-23(29)20(14-15-33-2)25-22(28)17-8-10-18(11-9-17)24-21(27)5-3-4-16-6-12-19(13-7-16)26(30)31/h6-13,20H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,28)/t20-/m0/s1 |
| InChIKey |
WDFKFMDHUYDBJR-FQEVSTJZSA-N |
| Molecular Weight |
473.544 g/mol |
| SMILES |
N(C(CCCc1ccc(N(=O)=O)cc1)=O)c1ccc(C(N[C@](C(=O)OC)(CCSC)[H])=O)cc1 |
| SPLASH |
splash10-0229-0935000000-5e4d99935fc9bd3ae92a |
| Source of Spectrum |
D9-335-140-9 |
| Wiley ID |
1550947 |
![(2S)-4-(methylthio)-2-[[4-[4-(4-nitrophenyl)butanoylamino]benzoyl]amino]butyric acid methyl ester](/api/spectrum/8r5lLnAttoL/structure.png?h=300&w=458 "(2S)-4-(methylthio)-2-[[4-[4-(4-nitrophenyl)butanoylamino]benzoyl]amino]butyric acid methyl ester")
