[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(C1=CC=CC=C1)C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-16(2)27(21-7-5-4-6-8-21)22(28)15-31-23(29)17(3)26-24(30)25-12-18-9-19(13-25)11-20(10-18)14-25/h4-8,16-20H,9-15H2,1-3H3,(H,26,30)/t17-,18?,19?,20?,25?/m0/s1