[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)O[C@@H](C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H30N2O4/c32-25(17-31-28(34)29-13-18-10-19(14-29)12-20(11-18)15-29)35-27(21-6-2-1-3-7-21)26(33)23-16-30-24-9-5-4-8-22(23)24/h1-9,16,18-20,27,30H,10-15,17H2,(H,31,34)/t18?,19?,20?,27-,29?/m0/s1