Molecule
![Molecular Image]()
(3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 13C.jdf]
(3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b 1H.jdf]
(3S,5aS,10bR,11aS)-3-((1H-indol-3-yl)methyl)-10b-hydroxy-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[2b NOESY.jdf]
(1S,4S,7S,9R)-9-hydroxy-4-(1H-indol-3-ylmethyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Chemical Information
| InChI | InChI=1S/C22H20N4O3/c27-19-18-10-22(29)14-6-2-4-8-16(14)25-21(22)26(18)20(28)17(24-19)9-12-11-23-15-7-3-1-5-13(12)15/h1-8,11,17-18,21,23,25,29H,9-10H2,(H,24,27)/t17-,18-,21-,22+/m0/s1 |
|---|---|
| SMILES | O=C1N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N2[C@H]1C[C@@]1(O)C3=CC=CC=C3N[C@@H]21 |
| InChI Key | ZXNHGYZICBCEIG-YHDSQAASSA-N |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol3656 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL5422316 | chembl |
| 172456299 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |