2-[[(3S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[(3S)-2-ethanoyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid CAS Name: 2-[[[(3S)-2-acetyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Traditional Name: 2-[[(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)C

InChI

InChI=1S/C18H24N2O4/c1-3-4-9-15(18(23)24)19-17(22)16-10-13-7-5-6-8-14(13)11-20(16)12(2)21/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,19,22)(H,23,24)/t15?,16-/m0/s1