PRD_000226
Summary
| Name: | Viomycin |
| Formula: | C25 H43 N13 O10 |
| Fomular weight: | 685.69 |
| Component type: | peptide-like |
| Polymer sequences: | KBE, DPP, SER, SER, UAL, 5OH |
| Non-polymer components: | |
| BIRD class: | Antibiotic |
| Represented as: | polymer |
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3,6-diamino-N-[(3S,6Z,9S,12S,15R)-3-[(4S,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide |
| OpenEye OEToolkits | 1.7.6 | (3S)-N-[(3S,6Z,9S,12S,15S)-6-[(aminocarbonylamino)methylidene]-3-[(4S,6S)-2-azanyl-4-oxidanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-3,6-bis(azanyl)hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)NC(\C(=O)NC(C(=O)NCC(NC(=O)CC(N)CCCN)C(=O)NC1CO)C2NC(=NC(O)C2)N)=C\NC(=O)N)CO |
| InChI | InChI | 1.03 | InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48) |
| InChIKey | InChI | 1.03 | GXFAIFRPOKBQRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)=C\NC(N)=O)[C@H]2C[C@H](O)N=C(N)N2 |
| SMILES | CACTVS | 3.370 | NCCC[CH](N)CC(=O)N[CH]1CNC(=O)[CH](NC(=O)C(NC(=O)[CH](CO)NC(=O)[CH](CO)NC1=O)=CNC(N)=O)[CH]2C[CH](O)N=C(N)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H](NC(=N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(NC(=NC1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(CCCN)N |
