[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H33N3O9S MolecularWeight: 563.61992

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC3C(=O)OCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC(CC3C(=O)OCC(=O)NC(=O)NC45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C26H33N3O9S/c30-18-8-20(29(13-18)39(34,35)19-1-2-21-22(9-19)37-4-3-36-21)24(32)38-14-23(31)27-25(33)28-26-10-15-5-16(11-26)7-17(6-15)12-26/h1-2,9,15-18,20,30H,3-8,10-14H2,(H2,27,28,31,33)