[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-phenyl-propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H33NO4/c1-19-7-9-24(10-8-19)26(31)18-34-27(32)25(14-20-5-3-2-4-6-20)30-28(33)29-15-21-11-22(16-29)13-23(12-21)17-29/h2-10,21-23,25H,11-18H2,1H3,(H,30,33)/t21?,22?,23?,25-,29?/m0/s1