PRD_002419
Summary
| Name: | Cyclomarin A |
| Formula: | C56 H82 N8 O11 |
| Fomular weight: | 1043.297 |
| Component type: | peptide-like |
| Polymer sequences: | LTU, WLU, ALA, WPA, VAL, MLE, WVL |
| Non-polymer components: | |
| BIRD class: | Antibiotic, Antimicrobial |
| Represented as: | polymer |
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S},6~{S},9~{S},12~{S},15~{S},18~{S},21~{S})-15-[(~{R})-methoxy(phenyl)methyl]-1,10,18-trimethyl-21-[(2~{R})-2-methyl-3-oxidanyl-propyl]-6-[(2~{R})-4-methylpent-3-en-2-yl]-9-(2-methylpropyl)-3-[(~{R})-oxidanyl-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]([C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C)[C@H](C)C=C(C)C)[C@H](O)c2cn(c3ccccc23)C(C)(C)[C@H]4CO4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | CO[CH]([CH]1NC(=O)[CH](C)NC(=O)[CH](C[CH](C)CO)N(C)C(=O)[CH](NC(=O)[CH](NC(=O)[CH](CC(C)C)N(C)C(=O)[CH](NC1=O)C(C)C)[CH](C)C=C(C)C)[CH](O)c2cn(c3ccccc23)C(C)(C)[CH]4CO4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C[C@@H](C)CO)C)[C@@H](c2cn(c3c2cccc3)C(C)(C)[C@H]4CO4)O)[C@H](C)C=C(C)C)CC(C)C)C)C(C)C)[C@@H](c5ccccc5)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1)CC(C)CO)C)C(c2cn(c3c2cccc3)C(C)(C)C4CO4)O)C(C)C=C(C)C)CC(C)C)C)C(C)C)C(c5ccccc5)OC |
