| SpectraBase Spectrum ID |
2pLDzSKqYUI |
| Name |
(S)-2-(2-{1-[(1,3-Dioxoisoindolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl}phenyl)acetic acid (?) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.152871811 u |
| Formula |
C27H22N2O5 |
| InChI |
InChI=1S/C27H22N2O5/c30-24(31)15-18-8-2-4-10-20(18)25(32)28-14-13-17-7-1-3-9-19(17)23(28)16-29-26(33)21-11-5-6-12-22(21)27(29)34/h1-12,23H,13-16H2,(H,30,31)/t23-/m1/s1 |
| InChIKey |
FFPUISVWCVWVJN-HSZRJFAPSA-N |
| Molecular Weight |
454.482 g/mol |
| SMILES |
C(CC1=C(C=CC=C1)C(=O)N1[C@@](C2=C(CC1)C=CC=C2)(CN1C(C2=C(C1=O)C=CC=C2)=O)[H])(=O)O |
![(S)-2-(2-{1-[(1,3-Dioxoisoindolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl}phenyl)acetic acid (?)](/api/spectrum/2pLDzSKqYUI/structure.png?h=300&w=458 "(S)-2-(2-{1-[(1,3-Dioxoisoindolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbonyl}phenyl)acetic acid (?)")
