Structure via PubChem · Public domain (PubChem)
blasticidin S
Sign in to saveAlso known as (2S,3S,6R)-3-[3-amino-5-(N-methylcarbamimidamido)pentanamido]-6-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid, Blasticidin-S
chemical compound
Chemical data
- Formula
- C17H26N8O5
- Molecular weight
- 422.4 g/mol
- IUPAC name
- (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
- SMILES
- CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N
- InChIKey
- CXNPLSGKWMLZPZ-ZNIXKSQXSA-N
- XLogP
- -5.2
- Polar surface area
- 213 Ų
- H-bond donors
- 6
- H-bond acceptors
- 7
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 422.203
Show 4 more facts
- chemical formula
- C₁₇H₂₆N₈O₅
- canonical SMILES
- CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N
- isomeric SMILES
- CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N
- has characteristic
- natural product
Sources (2)
via Wikidata · CC0