(2S)-2-[3-(3,4-dihydro-2H-quinolin-1-yl)propanoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[3-(3,4-dihydro-2H-quinolin-1-yl)propanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[3-(3,4-dihydro-2H-quinolin-1-yl)propanoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[3-(3,4-dihydro-2H-quinolin-1-yl)propanoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[3-(3,4-dihydro-2H-quinolin-1-yl)propanoylamino]-4-methyl-valeric acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCN1CCCC2=CC=CC=C21

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CCN1CCCC2=CC=CC=C21

InChI

InChI=1S/C18H26N2O3/c1-13(2)12-15(18(22)23)19-17(21)9-11-20-10-5-7-14-6-3-4-8-16(14)20/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H,19,21)(H,22,23)/t15-/m0/s1