[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30N2O5/c1-14(25-23(30)24-10-16-7-17(11-24)9-18(8-16)12-24)22(29)31-13-21(28)26-20-5-3-19(4-6-20)15(2)27/h3-6,14,16-18H,7-13H2,1-2H3,(H,25,30)(H,26,28)/t14-,16?,17?,18?,24?/m0/s1