(2R)-5-oxidanylidene-5-phenylmethoxy-2-[[(3R)-2-piperidin-4-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: (2R)-5-oxidanylidene-5-phenylmethoxy-2-[[(3R)-2-piperidin-4-ylcarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]pentanoic acid Openeye Name: (2R)-5-benzyloxy-5-oxo-2-[[(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid CAS Name: (2R)-5-oxo-2-[[oxo-[(3R)-2-[oxo(4-piperidinyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-5-phenylmethoxypentanoic acid IUPAC Name: (2R)-5-oxo-5-phenylmethoxy-2-[[(3R)-2-(piperidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid Traditional Name: (2R)-5-benzoxy-2-[[(3R)-2-isonipecotoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-keto-valeric acid Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CCC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N[C@H](CCC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H33N3O6/c32-25(37-18-19-6-2-1-3-7-19)11-10-23(28(35)36)30-26(33)24-16-21-8-4-5-9-22(21)17-31(24)27(34)20-12-14-29-15-13-20/h1-9,20,23-24,29H,10-18H2,(H,30,33)(H,35,36)/t23-,24-/m1/s1