| PDB CCD ID: | BCC |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C16 H20 N2 O3 |
| InChI: | InChI=1S/C16H20N2O3/c17-16(10-11-4-2-1-3-5-11)9-8-12-6-7-13(14(19)20)18(12)15(16)21/h1-5,12-13H,6-10,17H2,(H,19,20)/t12-,13+,16+/m1/s1 |
| InChIKey: | CPHJQEQVQOMCAQ-WWGRRREGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[C]1(CC[CH]2CC[CH](N2C1=O)C(O)=O)Cc3ccccc3 | | ACDLabs 12.01 | O=C(O)C2N1C(=O)C(N)(CCC1CC2)Cc3ccccc3 | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)CC2(CCC3CCC(N3C2=O)C(=O)O)N | | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C[C@]2(CC[C@H]3CC[C@H](N3C2=O)C(=O)O)N | | CACTVS 3.385 | N[C@@]1(CC[C@H]2CC[C@H](N2C1=O)C(O)=O)Cc3ccccc3 |
|
| Name: | (3S,6S,8aR)-6-amino-6-benzyl-5-oxooctahydroindolizine-3-carboxylic acid |
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