Enviomycin sulfateProduct ingredient for Enviomycin

Name
Enviomycin sulfate
Drug Entry
Enviomycin

Cyclic basic peptide related to viomycin. It is isolated from an induced mutant of Streptomyces griseoverticillatus var. tuberacticus and acts as an antitubercular agent with less ototoxicity than tuberactinomycin.

Accession Number
DBSALT001086
Structure
Synonyms
Not Available
UNII
67846BXW65
CAS Number
53760-33-1
Weight
Average: 1665.62
Monoisotopic: 1664.553308428
Chemical Formula
C50H92N26O32S3
InChI Key
DZKQVWCTFCSEKF-QOEBQMAPSA-N
InChI
InChI=1S/2C25H43N13O10.3H2O4S/c2*26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43;3*1-5(2,3)4/h2*7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48);3*(H2,1,2,3,4)/b2*13-7-;;;/t2*10-,11-,12+,14+,15+,16-,18+;;;/m11.../s1
IUPAC Name
bis((3R,4R)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R)-2-amino-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]-4-hydroxyhexanamide); tris(sulfuric acid)
SMILES
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)[C@H](O)CCN)=C\NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)[C@H](O)CCN)=C\NC(N)=O
ChemSpider
34985959
Predicted Properties
PropertyValueSource
Water Solubility2.56 mg/mLALOGPS
logP-3.5ALOGPS
logP-12Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)8.71Chemaxon
pKa (Strongest Basic)10.52Chemaxon
Physiological Charge3Chemaxon
Hydrogen Acceptor Count15Chemaxon
Hydrogen Donor Count15Chemaxon
Polar Surface Area392.86 Å2Chemaxon
Rotatable Bond Count20Chemaxon
Refractivity161.87 m3·mol-1Chemaxon
Polarizability65.92 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon