2-[[2-(isoquinolin-1-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(isoquinolin-1-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(isoquinoline-1-carbonylamino)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[1-isoquinolinyl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(isoquinoline-1-carbonylamino)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(isoquinoline-1-carbonylamino)benzoyl]amino]-3-phenyl-propionic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C26H21N3O4/c30-24(29-22(26(32)33)16-17-8-2-1-3-9-17)20-12-6-7-13-21(20)28-25(31)23-19-11-5-4-10-18(19)14-15-27-23/h1-15,22H,16H2,(H,28,31)(H,29,30)(H,32,33)