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

Systemtic Name: methyl (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O3/c1-28-21(26)20(9-17-13-24-19-5-3-2-4-18(17)19)25-22(27)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,13-16,20,24H,6-12H2,1H3,(H,25,27)/t14?,15?,16?,20-,23?/m0/s1