Bleomycin bapp

[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-[3-(butylamino)propylamino]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

Also Known As: Bleomycin bapp|Bleomycin-BAPP|N1-(3-((3-(Butylamino)propyl)amino)propyl)bleomycinamide|Bleomycinamide, N(sup 1)-(3-((3-(butylamino)propyl)amino)propyl)-|[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-[3-(butylamino)propylamino]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|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-{[3-(butylamino)propyl]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(non-preferredname)

Molecular Formula	C60H95N19O21S2
Molecular Weight	1481.6392 g/mol
LogP	-7.21
Topological Polar Surface Area	651.13 Ų
Hydrogen Bond Donors	22
Hydrogen Bond Acceptors	33
Rotatable Bonds	42
Exact Mass	1481.6392
Heavy Atoms	102
Complexity	3377.8

Chemical Identifiers

CAS Number	69177-41-9
SMILES	CCCCNCCCNCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)NC(=O)C6=C(C(=NC(=N6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O