AC1L82W3

[1-[5-[2-[3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-4-hydroxy-4-methyl-1-nitrocyclohexyl]ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethylideneamino]urea

Also Known As: [(Z)-1-[5-[2-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoy|[1-[5-[2-[3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-4-hydroxy-4-methyl-1-nitrocyclohexyl]ethyl]-2-hydroxy-2-methyl-5-nitrocyclohexyl]ethylideneamino]urea

Molecular Formula	C22H38N8O8
Molecular Weight	542.28125 g/mol
LogP	-1.1
Topological Polar Surface Area	267.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	542.28125
Monoisotopic Mass	542.28125
Heavy Atoms	38
Complexity	946.0

Chemical Identifiers

CAS Number	7404-87-7
SMILES	CC(=NNC(=O)N)C1CC(CCC1(C)O)(CCC2(CCC(C(C2)C(=NNC(=O)N)C)(C)O)[N+](=O)[O-])[N+](=O)[O-]
InChIKey	DLNNZIJZLJOLPM-UHFFFAOYSA-N