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

Systemtic Name: (phenylmethyl) (4R)-5-(1-azanylisoquinolin-7-yl)oxy-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]pentanoate Openeye Name: benzyl (4R)-5-[(1-amino-7-isoquinolyl)oxy]-4-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]pentanoate CAS Name: (4R)-5-[(1-amino-7-isoquinolinyl)oxy]-4-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-(1-aminoisoquinolin-7-yl)oxy-4-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate Traditional Name: (4R)-5-[(1-amino-7-isoquinolyl)oxy]-4-[[1-(4-pyridyl)isonipecotoyl]amino]valeric acid benzyl ester Formula: C32H35N5O4 MolecularWeight: 553.6514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CCC(=O)OCC2=CC=CC=C2)COC3=CC4=C(C=C3)C=CN=C4N)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N[C@H](CCC(=O)OCC2=CC=CC=C2)COC3=CC4=C(C=C3)C=CN=C4N)C5=CC=NC=C5

InChI

InChI=1S/C32H35N5O4/c33-31-29-20-28(8-6-24(29)10-17-35-31)40-22-26(7-9-30(38)41-21-23-4-2-1-3-5-23)36-32(39)25-13-18-37(19-14-25)27-11-15-34-16-12-27/h1-6,8,10-12,15-17,20,25-26H,7,9,13-14,18-19,21-22H2,(H2,33,35)(H,36,39)/t26-/m1/s1