quinolin-3-yl 2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanoate

Systemtic Name: quinolin-3-yl 2-[2,6-bis(azanyl)hexanoylamino]-4-methyl-pentanoate Openeye Name: 3-quinolyl 2-(2,6-diaminohexanoylamino)-4-methyl-pentanoate CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-4-methylpentanoic acid 3-quinolinyl ester IUPAC Name: quinolin-3-yl 2-(2,6-diaminohexanoylamino)-4-methylpentanoate Traditional Name: 2-(2,6-diaminohexanoylamino)-4-methyl-valeric acid 3-quinolyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)OC1=CC2=CC=CC=C2N=C1)NC(=O)C(CCCCN)N

InChI

InChI=1S/C21H30N4O3/c1-14(2)11-19(25-20(26)17(23)8-5-6-10-22)21(27)28-16-12-15-7-3-4-9-18(15)24-13-16/h3-4,7,9,12-14,17,19H,5-6,8,10-11,22-23H2,1-2H3,(H,25,26)