[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C23H32N4O6S MolecularWeight: 492.58838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H32N4O6S/c24-34(31,32)19-3-1-15(2-4-19)13-26-20(28)14-33-21(29)5-6-25-22(30)27-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-4,16-18H,5-14H2,(H,26,28)(H2,24,31,32)(H2,25,27,30)