ethyl 4-[(E)-3-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanyl-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-3-[[(2S)-3-methyl-1-oxidanylidene-1-[(2S)-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanyl-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-3-[[(1S)-2-methyl-1-[(2S)-2-[(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)carbamoyl]pyrrolidine-1-carbonyl]propyl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[oxo-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]methyl]-1-pyrrolidinyl]butan-2-yl]amino]-3-oxoprop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[[(1S)-2-methyl-1-[(2S)-2-[(3,3,3-trifluoro-2-hydroxy-1-isopropyl-propyl)carbamoyl]pyrrolidine-1-carbonyl]propyl]amino]prop-1-enyl]benzoic acid ethyl ester Formula: C28H38F3N3O6 MolecularWeight: 569.61303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)NC(C(C)C)C(C(F)(F)F)O

InChI

InChI=1S/C28H38F3N3O6/c1-6-40-27(39)19-12-9-18(10-13-19)11-14-21(35)32-23(17(4)5)26(38)34-15-7-8-20(34)25(37)33-22(16(2)3)24(36)28(29,30)31/h9-14,16-17,20,22-24,36H,6-8,15H2,1-5H3,(H,32,35)(H,33,37)/b14-11+/t20-,22?,23-,24?/m0/s1