| SpectraBase Spectrum ID |
8SSBFa1qbr1 |
| Name |
2-[(1S)-1-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydro-$b-carboline-2-carbonyl]-2,2-dimethyl-propyl]isoindoline-1,3-quinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H28ClN3O3 |
| InChI |
InChI=1S/C31H28ClN3O3/c1-31(2,3)27(35-28(36)22-9-4-5-10-23(22)29(35)37)30(38)34-17-16-21-20-8-6-7-11-24(20)33-25(21)26(34)18-12-14-19(32)15-13-18/h4-15,26-27,33H,16-17H2,1-3H3/t26-,27-/m1/s1 |
| InChIKey |
NDVYCLOELKTWBS-KAYWLYCHSA-N |
| Molecular Weight |
526.036 g/mol |
| SMILES |
[nH]1c2ccccc2c2CCN([C@@](c12)(c1ccc(cc1)Cl)[H])C([C@@](N1C(c2ccccc2C1=O)=O)(C(C)(C)C)[H])=O |
| SPLASH |
splash10-001i-0090040000-fecc6953cd178eb72f47 |
| Source of Spectrum |
QE-2-1570-8 |
| Synonyms |
2-[(1S)-1-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]-2,2-dimethyl-propyl]isoindoline-1,3-dione
2-[(2S)-1-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]isoindole-1,3-dione
2-[(2S)-1-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]isoindole-1,3-dione |
| Wiley ID |
842835 |
![2-[(1S)-1-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydro-$b-carboline-2-carbonyl]-2,2-dimethyl-propyl]isoindoline-1,3-quinone](/api/spectrum/8SSBFa1qbr1/structure.png?h=300&w=458 "2-[(1S)-1-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydro-$b-carboline-2-carbonyl]-2,2-dimethyl-propyl]isoindoline-1,3-quinone")
