bleomycin
3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Molecular Identity
bleomycin
3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
PubChem CID: 5360373
2D Structure
Properties
C55H84N17O21S3+
Molecular Formula
1415.60
Molecular Weight
g/mol
1414.5190
Exact Mass
Da
-7.5
XLogP
Drug-like (Lipinski: < 5)
685
TPSA
May have limited oral absorption
20
H-Bond Donors
31
H-Bond Acceptors
2580
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
bleomycinBleomicinBleocinBleomicinaBleomycineBleomycinsBleomycinum11056-06-7NDC 0015-3010BleoNSC 12506640S1VHN69BBlenamaxBleomycin A(2)Bleomycin B(2)
Data from PubChem (NCBI)
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