AC1NOXRQ

2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid

Also Known As: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid|2-[[4-[3-(4-methyl-6-oxo-2-sulfanylidene-3H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid|N-{4-[3-(6-Methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanamido]benzoyl}glutamic acid

Molecular Formula	C20H22N4O7S
Molecular Weight	462.1209 g/mol
LogP	1.36001
Topological Polar Surface Area	181.45 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	462.1209
Monoisotopic Mass	462.1209
Heavy Atoms	32
Complexity	1137.8727

Chemical Identifiers

CAS Number	87-37-6
SMILES	CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O