(phenylmethyl) (4R)-5-[2-[(E)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-cyano-phenoxy]-4-[(3-pyridin-4-ylphenyl)carbonylamino]pentanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (phenylmethyl) (4R)-5-[2-[(E)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-cyano-phenoxy]-4-[(3-pyridin-4-ylphenyl)carbonylamino]pentanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: benzyl (4R)-5-[2-[(E)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-cyano-phenoxy]-4-[[3-(4-pyridyl)benzoyl]amino]pentanoate; 2,2,2-trifluoroacetic acid CAS Name: (4R)-5-[2-[(E)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-4-[[oxo-(3-pyridin-4-ylphenyl)methyl]amino]pentanoic acid (phenylmethyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: benzyl (4R)-5-[2-[(E)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-4-[(3-pyridin-4-ylbenzoyl)amino]pentanoate; 2,2,2-trifluoroacetic acid Traditional Name: (4R)-5-[2-[(E)-2-acetamido-3-keto-3-methoxy-prop-1-enyl]-5-cyano-phenoxy]-4-[[3-(4-pyridyl)benzoyl]amino]valeric acid benzyl ester; 2,2,2-trifluoroacetic acid Formula: C39H35F3N4O9 MolecularWeight: 760.71181

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C=C(C=C1)C#N)OCC(CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)N/C(=C/C1=C(C=C(C=C1)C#N)OC[C@@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C4=CC=NC=C4)/C(=O)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C37H34N4O7.C2HF3O2/c1-25(42)40-33(37(45)46-2)21-30-12-11-27(22-38)19-34(30)47-24-32(13-14-35(43)48-23-26-7-4-3-5-8-26)41-36(44)31-10-6-9-29(20-31)28-15-17-39-18-16-28;3-2(4,5)1(6)7/h3-12,15-21,32H,13-14,23-24H2,1-2H3,(H,40,42)(H,41,44);(H,6,7)/b33-21+;/t32-;/m1./s1