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

Systemtic Name: N-[(2S)-1-[(4-fluoranyl-3-oxidanylidene-1-phenyl-butan-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-[(1-benzyl-3-fluoro-2-oxo-propyl)carbamoyl]-2-methyl-butyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-[(4-fluoro-3-oxo-1-phenylbutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-[(4-fluoro-3-oxo-1-phenylbutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-[(1-benzyl-3-fluoro-2-keto-propyl)carbamoyl]-2-methyl-butyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H32FN3O3 MolecularWeight: 453.548983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O3/c1-3-18(2)24(29-26(33)30-14-13-20-11-7-8-12-21(20)17-30)25(32)28-22(23(31)16-27)15-19-9-5-4-6-10-19/h4-12,18,22,24H,3,13-17H2,1-2H3,(H,28,32)(H,29,33)/t18?,22?,24-/m0/s1