(2S)-N-[(1-azanylisoquinolin-6-yl)methyl]-3-naphthalen-1-yl-2-(2-phenoxyethanoylamino)propanamide

Systemtic Name: (2S)-N-[(1-azanylisoquinolin-6-yl)methyl]-3-naphthalen-1-yl-2-(2-phenoxyethanoylamino)propanamide Openeye Name: (2S)-N-[(1-amino-6-isoquinolyl)methyl]-3-(1-naphthyl)-2-[(2-phenoxyacetyl)amino]propanamide CAS Name: (2S)-N-[(1-amino-6-isoquinolinyl)methyl]-3-(1-naphthalenyl)-2-[(1-oxo-2-phenoxyethyl)amino]propanamide IUPAC Name: (2S)-N-[(1-aminoisoquinolin-6-yl)methyl]-3-naphthalen-1-yl-2-[(2-phenoxyacetyl)amino]propanamide Traditional Name: (2S)-N-[(1-amino-6-isoquinolyl)methyl]-3-(1-naphthyl)-2-[(2-phenoxyacetyl)amino]propionamide Formula: C31H28N4O3 MolecularWeight: 504.57902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(CC2=CC=CC3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N[C@@H](CC2=CC=CC3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

InChI

InChI=1S/C31H28N4O3/c32-30-27-14-13-21(17-24(27)15-16-33-30)19-34-31(37)28(35-29(36)20-38-25-10-2-1-3-11-25)18-23-9-6-8-22-7-4-5-12-26(22)23/h1-17,28H,18-20H2,(H2,32,33)(H,34,37)(H,35,36)/t28-/m0/s1