Blasticidin S

AlkaPlorer ID: AK290795

Synonym: Cytovirin, NSC 91770, A 83094C, Antibiotic 21544, Antibiotic A 83094C, Bla-S

IUPAC Name: 3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

Structure

SMILES: CN(CCC(N)CC(O)=NC1C=CC(N2C=CC(=N)N=C2O)OC1C(=O)O)C(=N)N

copy

InChI: InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)

copy

InChIKey: CXNPLSGKWMLZPZ-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 422.4460000000002

TPSA: 220.15

MolLogP: -1.1357599999999968

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information