(2R)-2-[[(3R)-2-piperidin-4-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2R)-2-[[(3R)-2-piperidin-4-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]pentanedioic acid Openeye Name: (2R)-2-[[(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanedioic acid CAS Name: (2R)-2-[[oxo-[(3R)-2-[oxo(4-piperidinyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanedioic acid Traditional Name: (2R)-2-[[(3R)-2-isonipecotoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]glutaric acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H27N3O6/c25-18(26)6-5-16(21(29)30)23-19(27)17-11-14-3-1-2-4-15(14)12-24(17)20(28)13-7-9-22-10-8-13/h1-4,13,16-17,22H,5-12H2,(H,23,27)(H,25,26)(H,29,30)/t16-,17-/m1/s1