| PDB CCD ID: | RGV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N3 O2 |
| InChI: | InChI=1S/C13H15N3O2/c1-15-11-2-8-5-16(7-17)6-13(8,15)12(18)10-4-14-3-9(10)11/h3-4,7-8,11,14H,2,5-6H2,1H3/t8-,11-,13+/m0/s1 |
| InChIKey: | HQZKECRFEYSMAO-LJUAHTATSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C | | OpenEye OEToolkits 2.0.6 | CN1C2CC3C1(CN(C3)C=O)C(=O)c4c2c[nH]c4 | | OpenEye OEToolkits 2.0.6 | CN1[C@H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[nH]c4 | | CACTVS 3.385 | CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24)C=O | | CACTVS 3.385 | CN1[C@H]2C[C@H]3CN(C[C@@]13C(=O)c4c[nH]cc24)C=O |
|
| Name: | (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde |
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