PRD_002333
Summary
| Name: | Pseudoxylallemycin A |
| Formula: | C32 H44 N4 O4 |
| Fomular weight: | 548.716 |
| Component type: | peptide-like |
| Polymer sequences: | MLE, PHE, MLE, PHE |
| Non-polymer components: | |
| BIRD class: | Antibiotic |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},6~{S},9~{S},12~{S})-1,7-dimethyl-6,12-bis(2-methylpropyl)-3,9-bis(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc3ccccc3)NC1=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1N(C)C(=O)[CH](Cc2ccccc2)NC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc3ccccc3)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)Cc2ccccc2)CC(C)C)C)Cc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1C)Cc2ccccc2)CC(C)C)C)Cc3ccccc3 |
