BCZ
Summary
| Name: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID |
| Synonyms: | BCX-1812 |
| Formula: | C15 H28 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 328.407 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-carbamimidamido-2-hydroxy-cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCC(CC)[CH](NC(C)=O)[CH]1[CH](O)[CH](C[CH]1NC(N)=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CC)C(C1C(CC(C1O)C(=O)O)NC(=N)N)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | XRQDFNLINLXZLB-CKIKVBCHSA-N |
