| PDB CCD ID: | M0D |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H19 N3 O2 |
| InChI: | InChI=1S/C16H19N3O2/c17-15(21)8-19-7-14(20)12-6-9(19)5-11-10-3-1-2-4-13(10)18-16(11)12/h1-4,9,12,14,18,20H,5-8H2,(H2,17,21)/t9-,12+,14-/m0/s1 |
| InChIKey: | XUAJXPXSOUOOHU-BHYNMZESSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)c3c([nH]2)C4CC(C3)N(CC4O)CC(=O)N | | CACTVS 3.385 | NC(=O)CN1C[CH](O)[CH]2C[CH]1Cc3c2[nH]c4ccccc34 | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)c3c([nH]2)[C@@H]4C[C@H](C3)N(C[C@@H]4O)CC(=O)N | | ACDLabs 12.01 | N4(C1CC(c3c(C1)c2c(cccc2)n3)C(C4)O)CC(N)=O | | CACTVS 3.385 | NC(=O)CN1C[C@H](O)[C@H]2C[C@@H]1Cc3c2[nH]c4ccccc34 |
|
| Name: | 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide |
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