Tallysomycin fragment WA

N-[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]-2-[2-[2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[[2-[(4-amino-3-hydroxypentanoyl)amino]-3-hydroxybutanoyl]amino]-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

Also Known As: Tallysomycin fragment WA|(2,4'-Bithiazole)-4-carboxamide, N-(4-amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-2'-(2-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-2-((2-((4-amino-2,4,5-trideoxy-erythro-pentonoyl)amino)-3-hydroxy-1-oxobutyl)amino)-1-hydroxyethyl)-|N-(4-Amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-2'-(2-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-2-((2-((4-amino-2,4,5-trideoxy-erythro-pentonoyl)amino)-3-hydroxy-1-oxobutyl)amino)-1-hydroxyethyl)-(2,4'-bithiazole)-4-carboxamide|N-[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]-2-[2-[2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[[2-[(4-amino-3-hydroxypentanoyl)amino]-3-hydroxybutanoyl]amino]-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

Molecular Formula	C37H65N11O11S2
Molecular Weight	903.43066 g/mol
LogP	-5.4
Topological Polar Surface Area	434.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	20
Rotatable Bonds	27
Exact Mass	903.43066
Monoisotopic Mass	903.43066
Heavy Atoms	61
Complexity	1360.0

Chemical Identifiers

CAS Number	70518-45-5
SMILES	CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)N)O)O)O)N
InChIKey	ZFRQNKRBJQEKSA-UHFFFAOYSA-N