[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H34N2O4/c1-19-6-8-23(9-7-19)28(34)18-37-29(35)27(13-24-17-32-26-5-3-2-4-25(24)26)33-30(36)31-14-20-10-21(15-31)12-22(11-20)16-31/h2-9,17,20-22,27,32H,10-16,18H2,1H3,(H,33,36)/t20?,21?,22?,27-,31?/m0/s1