methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N4O3/c1-34-26(33)24(9-19-14-28-15-29-19)31-25(32)23-10-21(20-4-2-3-5-22(20)30-23)27-11-16-6-17(12-27)8-18(7-16)13-27/h2-5,10,14-18,24H,6-9,11-13H2,1H3,(H,28,29)(H,31,32)/t16?,17?,18?,24-,27?/m0/s1