[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H34N2O7S MolecularWeight: 506.61166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H34N2O7S/c1-15(2)23(27-35(30,31)19-3-4-20-21(10-19)33-6-5-32-20)24(29)34-14-22(28)26-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-4,10,15-18,23,27H,5-9,11-14H2,1-2H3,(H,26,28)/t16?,17?,18?,23-,25?/m0/s1