N-[(2S)-1-[(4-fluoranyl-3-oxidanyl-1-phenyl-butan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[(4-fluoranyl-3-oxidanyl-1-phenyl-butan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-[(1-benzyl-3-fluoro-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-[(4-fluoro-3-hydroxy-1-phenylbutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-[(4-fluoro-3-hydroxy-1-phenylbutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-[(1-benzyl-3-fluoro-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H34FN3O3 MolecularWeight: 455.564863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(CF)O)NC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC1=CC=CC=C1)C(CF)O)NC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C26H34FN3O3/c1-18(2)14-23(29-26(33)30-13-12-20-10-6-7-11-21(20)17-30)25(32)28-22(24(31)16-27)15-19-8-4-3-5-9-19/h3-11,18,22-24,31H,12-17H2,1-2H3,(H,28,32)(H,29,33)/t22?,23-,24?/m0/s1