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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-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-adamantylmethylamino)-2-keto-ethyl] ester Formula: C26H36N2O7S MolecularWeight: 520.63824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H36N2O7S/c1-16(2)24(28-36(31,32)20-3-4-21-22(10-20)34-6-5-33-21)25(30)35-14-23(29)27-15-26-11-17-7-18(12-26)9-19(8-17)13-26/h3-4,10,16-19,24,28H,5-9,11-15H2,1-2H3,(H,27,29)/t17?,18?,19?,24-,26?/m0/s1