4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid

Chemical Structure Depiction of
4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid
Available: 40 mg
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mg
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Compound characteristics

Compound ID: 6194-0119
Compound Name: 4-methyl-2-[10-(3-nitrophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]pentanoic acid
Molecular Weight: 543.62
Molecular Formula: C25 H25 N3 O7 S2
Smiles: CC(C)CC(C(O)=O)N1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1cccc(c1)[N+]([O-])=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 2.9137
logD: -1.1409
logSw: -3.3874
Hydrogen bond acceptors count: 15
Hydrogen bond donors count: 2
Polar surface area: 114.035
InChI Key: DGMZWXRLDGCVLP-UHFFFAOYSA-N
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