[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O4S/c27-21(25-7-4-8-31-20-5-2-1-3-6-20)16-30-22(28)15-26-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-3,5-6,17-19H,4,7-16H2,(H,25,27)(H,26,29)