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Chemical structure of Bleomycin A5

GC68774

Bleomycin A5

Also known as [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Bleomycin A5 (Pingyangmycin) is a glycopeptide antibiotic with oral activity· Bleomycin A5 has anti-tumor, apoptosis-inducing and bacterial metabolite effects

ChemicalCAS11116-32-8MW1440.56FormulaC57H89N19O21S2
CAS number
11116-32-8
Molecular weight
1440.56
Formula
C57H89N19O21S2
Solubility
H2O ： ≥ 100 mg/mL (69·42 mM)
InChIKey
QYOAUOAXCQAEMW-UHFFFAOYSA-N
Catalogue number
GC68774
Brand
GLPBIO
Computed properties PubChem CID 84046 · XLogP -8.8 · TPSA 722 Ų · H-bond donors 22
XLogP
-8.8
TPSA
722 Ų
H-bond donors
22
H-bond acceptors
33
Rotatable bonds
40
Heavy atoms
99

SMILES CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O

Computed descriptors from PubChem (CID 84046), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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