(3S)-3-[[[(2R)-2-azanyl-3-(1-oxidanylquinolin-1-ium-2-yl)propanoyl]amino]methyl]-5-methyl-hexanoate

Systemtic Name: (3S)-3-[[[(2R)-2-azanyl-3-(1-oxidanylquinolin-1-ium-2-yl)propanoyl]amino]methyl]-5-methyl-hexanoate Openeye Name: (3S)-3-[[[(2R)-2-amino-3-(1-hydroxyquinolin-1-ium-2-yl)propanoyl]amino]methyl]-5-methyl-hexanoate CAS Name: (3S)-3-[[[(2R)-2-amino-3-(1-hydroxy-2-quinolin-1-iumyl)-1-oxopropyl]amino]methyl]-5-methylhexanoate IUPAC Name: (3S)-3-[[[(2R)-2-amino-3-(1-hydroxyquinolin-1-ium-2-yl)propanoyl]amino]methyl]-5-methylhexanoate Traditional Name: (3S)-3-[[[(2R)-2-amino-3-(1-hydroxyquinolin-1-ium-2-yl)propanoyl]amino]methyl]-5-methyl-hexanoate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)[O-])CNC(=O)C(CC1=[N+](C2=CC=CC=C2C=C1)O)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)[O-])CNC(=O)[C@@H](CC1=[N+](C2=CC=CC=C2C=C1)O)N

InChI

InChI=1S/C20H27N3O4/c1-13(2)9-14(10-19(24)25)12-22-20(26)17(21)11-16-8-7-15-5-3-4-6-18(15)23(16)27/h3-8,13-14,17H,9-12,21H2,1-2H3,(H2-,22,24,25,26,27)/t14-,17+/m0/s1