3-(1-azanylisoquinolin-6-yl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]propanoic acid

Systemtic Name: 3-(1-azanylisoquinolin-6-yl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]propanoic acid Openeye Name: 3-(1-amino-6-isoquinolyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propanoic acid CAS Name: 3-(1-amino-6-isoquinolinyl)-2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1-aminoisoquinolin-6-yl)-2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]propanoic acid Traditional Name: 3-(1-amino-6-isoquinolyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propionic acid Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)NC(CC3=CC4=C(C=C3)C(=NC=C4)N)C(=O)O

InChI

InChI=1S/C24H22N4O5S/c25-23-20-8-5-15(11-18(20)9-10-26-23)12-21(24(30)31)28-22(29)14-27-34(32,33)19-7-6-16-3-1-2-4-17(16)13-19/h1-11,13,21,27H,12,14H2,(H2,25,26)(H,28,29)(H,30,31)