| SpectraBase Spectrum ID |
GBC063Cj31v |
| Name |
(3S,6S)-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21BrN2O6 |
| InChI |
InChI=1S/C21H21BrN2O6/c1-29-20(27)17-10-16(22)19(23-17)18(26)9-14-7-8-15(25)11-24(14)21(28)30-12-13-5-3-2-4-6-13/h2-8,10,14-15,23,25H,9,11-12H2,1H3/t14-,15+/m1/s1 |
| InChIKey |
IHPMVVICXUMLAJ-CABCVRRESA-N |
| Molecular Weight |
477.311 g/mol |
| SMILES |
[nH]1c(cc(c1C(C[C@]1(C=C[C@@](CN1C(OCc1ccccc1)=O)(O)[H])[H])=O)Br)C(=O)OC |
| SPLASH |
splash10-0006-9100000000-b74085251e6421ed7221 |
| Source of Spectrum |
E1-44-73-15 |
| Synonyms |
(3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester
(phenylmethyl) (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-3,6-dihydro-2H-pyridine-1-carboxylate
benzyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate |
| Wiley ID |
1553212 |
![(3S,6S)-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester](/api/spectrum/GBC063Cj31v/structure.png?h=300&w=458 "(3S,6S)-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester")
