methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C32H33N3O3 MolecularWeight: 507.62272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NC4=CC=CC=C4C(=C3)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NC4=CC=CC=C4C(=C3)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H33N3O3/c1-38-31(37)29(13-22-18-33-26-8-4-2-6-23(22)26)35-30(36)28-14-25(24-7-3-5-9-27(24)34-28)32-15-19-10-20(16-32)12-21(11-19)17-32/h2-9,14,18-21,29,33H,10-13,15-17H2,1H3,(H,35,36)/t19?,20?,21?,29-,32?/m0/s1