TZA
Summary
| Name: | TRANS-AMICLENOMYCIN |
| Synonyms: | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID |
| Formula: | C10 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 196.246 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(4-amino-1-cyclohexa-2,5-dienyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCC1C=CC(N)C=C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC[C@H]1C=C[C@H](N)C=C1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CC(C=CC1CC[C@@H](C(=O)O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CC(C=CC1CCC(C(=O)O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | LAJWZJCOWPUSOA-CIUDSAMLSA-N |
