N-[4-[(2S,3S)-3-azanyl-1-(dimethylamino)-4-[(3S)-3-fluoranylpyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]phenyl]-4-methoxy-N-methyl-benzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[4-[(2S,3S)-3-azanyl-1-(dimethylamino)-4-[(3S)-3-fluoranylpyrrolidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]phenyl]-4-methoxy-N-methyl-benzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[4-[(1S,2S)-2-amino-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-propyl]phenyl]-4-methoxy-N-methyl-benzamide; 2,2,2-trifluoroacetic acid CAS Name: N-[4-[(2S,3S)-3-amino-1-(dimethylamino)-4-[(3S)-3-fluoro-1-pyrrolidinyl]-1,4-dioxobutan-2-yl]phenyl]-4-methoxy-N-methylbenzamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[4-[(2S,3S)-3-amino-1-(dimethylamino)-4-[(3S)-3-fluoropyrrolidin-1-yl]-1,4-dioxobutan-2-yl]phenyl]-4-methoxy-N-methylbenzamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[4-[(1S,2S)-2-amino-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidino]-3-keto-propyl]phenyl]-4-methoxy-N-methyl-benzamide; 2,2,2-trifluoroacetic acid Formula: C27H32F4N4O6 MolecularWeight: 584.559793

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=C(C=C1)N(C)C(=O)C2=CC=C(C=C2)OC)C(C(=O)N3CCC(C3)F)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN(C)C(=O)[C@@H](C1=CC=C(C=C1)N(C)C(=O)C2=CC=C(C=C2)OC)[C@@H](C(=O)N3CC[C@@H](C3)F)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C25H31FN4O4.C2HF3O2/c1-28(2)24(32)21(22(27)25(33)30-14-13-18(26)15-30)16-5-9-19(10-6-16)29(3)23(31)17-7-11-20(34-4)12-8-17;3-2(4,5)1(6)7/h5-12,18,21-22H,13-15,27H2,1-4H3;(H,6,7)/t18-,21-,22-;/m0./s1