PRD_000226

Viomycin

Created: 2012-02-08
Last modified:  2023-09-20

PRD_000226 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 3KNJ.

Chemical Details

Formal Charge0
Atom Count91
Chiral Atom Count7
Bond Count92
Aromatic Bond Count0
Toggle HydrogenToggle Labels

Chemical Component Summary

NameViomycin
Systematic Name (OpenEye OEToolkits)(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
FormulaC25 H43 N13 O10
Molecular Weight685.69
TypePEPTIDE-LIKE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=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
SMILESCACTVS3.370NCCC[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
SMILESOpenEye OEToolkits1.7.6C1C(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
Canonical SMILESCACTVS3.370 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
Canonical SMILESOpenEye OEToolkits1.7.6 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
InChIInChI1.03 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)
InChIKeyInChI1.03 GXFAIFRPOKBQRV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3037981, 135398671
ChEMBL CHEMBL3085436
ChEBI CHEBI:15782, CHEBI:94788