(4R)-5-(1-azanylisoquinolin-7-yl)oxy-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid

Systemtic Name: (4R)-5-(1-azanylisoquinolin-7-yl)oxy-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoic acid Openeye Name: (4R)-5-[(1-amino-7-isoquinolyl)oxy]-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoic acid CAS Name: (4R)-5-[(1-amino-7-isoquinolinyl)oxy]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]pentanoic acid IUPAC Name: (4R)-5-(1-aminoisoquinolin-7-yl)oxy-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoic acid Traditional Name: (4R)-5-[(1-amino-7-isoquinolyl)oxy]-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CCC(=O)O)COC2=CC3=C(C=C2)C=CN=C3N)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N[C@H](CCC(=O)O)COC2=CC3=C(C=C2)C=CN=C3N)C4=CC=NC=C4

InChI

InChI=1S/C25H29N5O4/c26-24-22-15-21(3-1-17(22)5-12-28-24)34-16-19(2-4-23(31)32)29-25(33)18-8-13-30(14-9-18)20-6-10-27-11-7-20/h1,3,5-7,10-12,15,18-19H,2,4,8-9,13-14,16H2,(H2,26,28)(H,29,33)(H,31,32)/t19-/m1/s1