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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-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-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C32H36N2O4 MolecularWeight: 512.63924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC1=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/C32H36N2O4/c1-2-20-7-9-24(10-8-20)29(35)19-38-30(36)28(14-25-18-33-27-6-4-3-5-26(25)27)34-31(37)32-15-21-11-22(16-32)13-23(12-21)17-32/h3-10,18,21-23,28,33H,2,11-17,19H2,1H3,(H,34,37)/t21?,22?,23?,28-,32?/m0/s1