N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanamide

Systemtic Name: N-[3-(1-azanylisoquinolin-6-yl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanamide Openeye Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-3-hydroxy-2-(2-naphthylsulfonylamino)propanamide CAS Name: N-[3-(1-amino-6-isoquinolinyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-3-hydroxy-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: N-[3-(1-aminoisoquinolin-6-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: N-[1-[(1-amino-6-isoquinolyl)methyl]-2-keto-2-piperidino-ethyl]-3-hydroxy-2-(2-naphthylsulfonylamino)propionamide Formula: C30H33N5O5S MolecularWeight: 575.67852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NC(=O)C(CO)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC3=C(C=C2)C(=NC=C3)N)NC(=O)C(CO)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H33N5O5S/c31-28-25-11-8-20(16-23(25)12-13-32-28)17-26(30(38)35-14-4-1-5-15-35)33-29(37)27(19-36)34-41(39,40)24-10-9-21-6-2-3-7-22(21)18-24/h2-3,6-13,16,18,26-27,34,36H,1,4-5,14-15,17,19H2,(H2,31,32)(H,33,37)