PRD_002555
Summary
| Name: | Paenilamicin B2 |
| Formula: | C42 H86 N16 O13 |
| Fomular weight: | 1023.232 |
| Component type: | peptide-like |
| Polymer sequences: | YF5, DAL, YFQ, ORD, YFZ, YFQ, GLY, SPD |
| Non-polymer components: | |
| BIRD class: | Antimicrobial |
| Represented as: | polymer |
| Compound Details: | A complex secondary metabolite produced by the honey bee brood pathogen Paenibacillus larvae |
| Description: | Nonribosomally synthesized peptide-polyketide hybrid |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},5~{S},6~{R})-6-azanyl-~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{R})-5-azanyl-1-[[(2~{S},3~{S},5~{S})-7-[[(2~{S})-1-[[2-[4-(3-azanylpropylamino)butylamino]-2-oxidanylidene-ethyl]amino]-3-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-1,3,5-tris(oxidanyl)-7-oxidanylidene-heptan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@H](NC(=O)C[C@@H](O)C[C@H](O)[C@H](CO)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CNC)NC(=O)[C@@H](C)NC(=O)[C@H](O)[C@@H](O)C[C@H](O)[C@H](N)CCCNC(N)=N)C(=O)NCC(=O)NCCCCNCCCN |
| SMILES | CACTVS | 3.385 | CNC[CH](NC(=O)C[CH](O)C[CH](O)[CH](CO)NC(=O)[CH](CCCN)NC(=O)[CH](CNC)NC(=O)[CH](C)NC(=O)[CH](O)[CH](O)C[CH](O)[CH](N)CCCNC(N)=N)C(=O)NCC(=O)NCCCCNCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)N[C@@H](CNC)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CO)[C@H](C[C@@H](CC(=O)N[C@@H](CNC)C(=O)NCC(=O)NCCCCNCCCN)O)O)NC(=O)[C@@H]([C@H](C[C@@H]([C@@H](CCCNC(=N)N)N)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NC(CNC)C(=O)NC(CCCN)C(=O)NC(CO)C(CC(CC(=O)NC(CNC)C(=O)NCC(=O)NCCCCNCCCN)O)O)NC(=O)C(C(CC(C(CCCNC(=N)N)N)O)O)O |
