[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O6S/c1-15(2)21(27-34(31,32)19-6-4-3-5-7-19)22(29)33-14-20(28)25-23(30)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,15-18,21,27H,8-14H2,1-2H3,(H2,25,26,28,30)/t16?,17?,18?,21-,24?/m0/s1