methyl (2S,3S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-4-16(2)24(26(31)32-3)29-25(30)23-12-21(20-7-5-6-8-22(20)28-23)27-13-17-9-18(14-27)11-19(10-17)15-27/h5-8,12,16-19,24H,4,9-11,13-15H2,1-3H3,(H,29,30)/t16-,17?,18?,19?,24-,27?/m0/s1