phenacyl (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: phenacyl (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)OCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H32N2O4/c33-27(22-6-2-1-3-7-22)18-36-28(34)26(13-23-17-31-25-9-5-4-8-24(23)25)32-29(35)30-14-19-10-20(15-30)12-21(11-19)16-30/h1-9,17,19-21,26,31H,10-16,18H2,(H,32,35)/t19?,20?,21?,26-,30?/m0/s1