[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H34N2O5S MolecularWeight: 414.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H34N2O5S/c1-3-4-5-28(25,26)22-14(2)19(24)27-12-18(23)21-13-20-9-15-6-16(10-20)8-17(7-15)11-20/h14-17,22H,3-13H2,1-2H3,(H,21,23)/t14-,15?,16?,17?,20?/m0/s1