methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H34N2O3/c1-16(2)8-24(26(31)32-3)29-25(30)23-12-21(20-6-4-5-7-22(20)28-23)27-13-17-9-18(14-27)11-19(10-17)15-27/h4-7,12,16-19,24H,8-11,13-15H2,1-3H3,(H,29,30)/t17?,18?,19?,24-,27?/m0/s1