Bleomycin A5 hydrochloride structure

Bleomycin A5 hydrochloride

[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;hydrochloride

Also Known As: Bleomycin A5 hydrochloride|Bleomycin A5 HCl|bleomycetin hydrochloride|Pingyangmycin hydrochloride|Bleomycin A5 Hydrochloride Salt|BLEOCIN(TM), STREPTOMYCES VERTICILLUS|BLEOCIN Antibiotic; Bleomycin A5 HCl|Bleomycin A5 hydrochloride, copper complex|[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;hydrochloride|N1-(3-((4-Aminobutyl)amino)propyl)bleomycinamide hydrochloride|BLEOCIN(TM) pound not STREPTOMYCES VERTICILLUS|Bleomycin A5 HCl; Bleocin(tm), streptomyces verticillus|Bleomycinamide, N(sup 1)-(3-((4-aminobutyl)amino)propyl)-, hydrochloride|N1-[3-[(4-Aminobutyl)amino]propyl]bleomycinamide Hydrochloride|2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)carbonyl]amino}-3-[(5-{[1-({2-[4-({3-[(4-aminobutyl)amino]propyl}carbamoyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)-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)tetrahydro-2h-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl carbamate hydrochloride(1:1)(non-preferred name)|[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[4-[[1-[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-1,3-|[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxo-propyl)amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[[4-[[1-[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-1,3-dimethyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-yl)-3-oxo-propoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate;hydrochloride|[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 hydrochloride

CAS: 55658-47-4
Molecular Formula C57H90ClN19O21S2
Molecular Weight 1475.5688 g/mol
LogP -7.83
Topological Polar Surface Area 665.12 Ų
Hydrogen Bond Donors 22
Hydrogen Bond Acceptors 33
Rotatable Bonds 39
Exact Mass 1475.5688
Heavy Atoms 100
Complexity 3328.5

Chemical Identifiers

CAS Number 55658-47-4
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.Cl

Product Overview

Bleomycin A5 hydrochloride (CAS 55658-47-4), with molecular formula C57H90ClN19O21S2 and molecular weight 1475.5688 g/mol. IUPAC: [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;hydrochloride.

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