| SpectraBase Spectrum ID |
KtpzmTwdKbr |
| Name |
4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-oxo-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, 1,1-dimethylethyl ester, cis-(.+-.)- |
| CAS Registry Number |
129265-18-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H32N2O5S |
| InChI |
InChI=1S/C30H32N2O5S/c1-30(2,3)37-29(34)27-20-31(18-22-17-23(33)13-14-25(22)27)16-15-21-19-32(28-12-8-7-11-26(21)28)38(35,36)24-9-5-4-6-10-24/h4-14,19-20,22,25H,15-18H2,1-3H3/t22-,25-/m0/s1 |
| InChIKey |
UKAJRZGGSFQKMW-DHLKQENFSA-N |
| Molecular Weight |
532.655 g/mol |
| SMILES |
c1[n](S(=O)(=O)c2ccccc2)c2c(c1CCN1C=C(C(OC(C)(C)C)=O)[C@@]3([C@](C1)(CC(C=C3)=O)[H])[H])cccc2 |
| SPLASH |
splash10-004i-9120000000-fddbe7b1e832bcfb9dbb |
| Source of Spectrum |
C-112-7690-22 |
| Synonyms |
2-[(1-phenylsulfonyl)tryptophyl]-4-(tert-butoxycarbonyl)-7-keto-1,2,7,8,9,10-hexahydroisoquinoline
tert-Butyl (4aS,8aR)-7-oxo-2-{2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl}-1,2,4a,7,8,8a-hexahydro-4-isoquinolinecarboxylate |
| Wiley ID |
1403608 |
![4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-oxo-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, 1,1-dimethylethyl ester, cis-(.+-.)-](/api/spectrum/KtpzmTwdKbr/structure.png?h=300&w=458 "4-Isoquinolinecarboxylic acid, 1,2,4a,7,8,8a-hexahydro-7-oxo-2-[2-[1-(phenylsulfonyl)-1H-indol-3-yl]ethyl]-, 1,1-dimethylethyl ester, cis-(.+-.)-")
