(3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[2-(N-methylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-[2-(N-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[2-(N-methylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[2-keto-2-(N-methylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; 2,2,2-trifluoroacetic acid Formula: C32H35F3N4O6 MolecularWeight: 628.63871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NCC(=O)N(C)C4=CC=CC=C4)N)C)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NCC(=O)N(C)C4=CC=CC=C4)N)C)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H34N4O4.C2HF3O2/c1-19-13-24(35)14-20(2)25(19)16-26(31)30(38)34-18-22-10-8-7-9-21(22)15-27(34)29(37)32-17-28(36)33(3)23-11-5-4-6-12-23;3-2(4,5)1(6)7/h4-14,26-27,35H,15-18,31H2,1-3H3,(H,32,37);(H,6,7)/t26-,27-;/m0./s1