(2S)-N-[(1-azanylisoquinolin-6-yl)methyl]-2-[2-(cyclohexylamino)ethanoylamino]-3-naphthalen-1-yl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(1-azanylisoquinolin-6-yl)methyl]-2-[2-(cyclohexylamino)ethanoylamino]-3-naphthalen-1-yl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1-amino-6-isoquinolyl)methyl]-2-[[2-(cyclohexylamino)acetyl]amino]-3-(1-naphthyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(1-amino-6-isoquinolinyl)methyl]-2-[[2-(cyclohexylamino)-1-oxoethyl]amino]-3-(1-naphthalenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[[2-(cyclohexylamino)acetyl]amino]-3-naphthalen-1-ylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1-amino-6-isoquinolyl)methyl]-2-[[2-(cyclohexylamino)acetyl]amino]-3-(1-naphthyl)pyrrolidine-2-carboxamide Formula: C33H38N6O2 MolecularWeight: 550.69382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)NC2(C(CCN2)C3=CC=CC4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)C(=NC=C6)N

Isomeric SMILES

C1CCC(CC1)NCC(=O)N[C@@]2(C(CCN2)C3=CC=CC4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)C(=NC=C6)N

InChI

InChI=1S/C33H38N6O2/c34-31-27-14-13-22(19-24(27)15-17-35-31)20-37-32(41)33(39-30(40)21-36-25-9-2-1-3-10-25)29(16-18-38-33)28-12-6-8-23-7-4-5-11-26(23)28/h4-8,11-15,17,19,25,29,36,38H,1-3,9-10,16,18,20-21H2,(H2,34,35)(H,37,41)(H,39,40)/t29?,33-/m0/s1