AC1MHJAD

2-amino-4-N-[3-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)

Also Known As: Pyridinium, 3-(2-amino-4-(3-amino-4-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)benzamido)-1-methyl-, di-p-toluenesulfonate|2-amino-4-N-[3-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate|3-{2-Amino-4-[3-amino-4-({4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]benzamido}-1-methylpyridin-1-ium bis(4-methylbenzene-1-sulfonate)

Molecular Formula	C48H46N8O10S2
Molecular Weight	958.27783 g/mol
LogP	5.30744
Topological Polar Surface Area	290.6 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	958.27783
Monoisotopic Mass	958.27783
Heavy Atoms	68
Complexity	3131.7612

Chemical Identifiers

CAS Number	68771-80-2
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)N)N