AC1MIHJS

bis(ethyl (2S,3S)-3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate);sulfuric acid

Also Known As: Nco 700|C26-H39-N3-O8.1/2H2-O4-S|Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, ethyl ester, (2S-(2-alpha,3-beta(R*)))-, sulfate (2:1)|ethyl (2S,3S)-3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate; sulfuric acid

Molecular Formula	C52H80N6O20S
Molecular Weight	1140.5148 g/mol
LogP	1.7832
Topological Polar Surface Area	312.94 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	20
Rotatable Bonds	24
Exact Mass	1140.5148
Monoisotopic Mass	1140.5148
Heavy Atoms	79
Complexity	2321.524

Chemical Identifiers

CAS Number	84579-83-9
SMILES	CCOC(=O)[C@@H]1[C@H](O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC.CCOC(=O)[C@@H]1[C@H](O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC.OS(=O)(=O)O