(2S)-4-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]valerate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C16H22N2O3/c1-10(2)7-14(16(20)21)18-15(19)13-8-11-5-3-4-6-12(11)9-17-13/h3-6,10,13-14,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)/t13-,14-/m0/s1