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

Systemtic Name: ethyl (2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: 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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-2-29-22(27)21(10-18-14-25-20-6-4-3-5-19(18)20)26-23(28)24-11-15-7-16(12-24)9-17(8-15)13-24/h3-6,14-17,21,25H,2,7-13H2,1H3,(H,26,28)/t15?,16?,17?,21-,24?/m0/s1