| SpectraBase Spectrum ID |
GmoZkY4nebq |
| Name |
Benzenebutanoic acid, 5-(acetyloxy)-.alpha.,2-bis[(methoxycarbonyl)amino]-.gamma.-oxo-, methyl ester, (S)- |
| Alternate Name(s) |
Methyl (2S)-4-{5-(acetyloxy)-2-[(methoxycarbonyl)amino]phenyl}-2-[(methoxycarbonyl)amino]-4-oxobutanoate
Methyl ester of 5-acetoxy-N,N'-dimethoxycarbonylkynurenine |
| CAS Registry Number |
89838-31-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20N2O9 |
| InChI |
InChI=1S/C17H20N2O9/c1-9(20)28-10-5-6-12(18-16(23)26-3)11(7-10)14(21)8-13(15(22)25-2)19-17(24)27-4/h5-7,13H,8H2,1-4H3,(H,18,23)(H,19,24)/t13-/m0/s1 |
| InChIKey |
QURKJHVVXVRFNE-ZDUSSCGKSA-N |
| Molecular Weight |
396.352 g/mol |
| SMILES |
N(C(=O)OC)[C@@](CC(c1c(ccc(c1)OC(=O)C)NC(=O)OC)=O)(C(=O)OC)[H] |
| SPLASH |
splash10-0ir0-2945000000-0aa832acc0b227b1da9f |
| Source of Spectrum |
F-41-2130-0 |
| Wiley ID |
1367261 |
![Benzenebutanoic acid, 5-(acetyloxy)-.alpha.,2-bis[(methoxycarbonyl)amino]-.gamma.-oxo-, methyl ester, (S)-](/api/spectrum/GmoZkY4nebq/structure.png?h=300&w=458 "Benzenebutanoic acid, 5-(acetyloxy)-.alpha.,2-bis[(methoxycarbonyl)amino]-.gamma.-oxo-, methyl ester, (S)-")
