(3S)-3-[[(2S)-3-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]butanoyl]amino]-4-oxidanylidene-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-3-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]butanoyl]amino]-4-oxidanylidene-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-4-oxo-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-pentanoic acid CAS Name: (3S)-3-[[(2S)-3-methyl-1-oxo-2-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]butyl]amino]-4-oxo-5-[[2-phenyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]pentanoic acid IUPAC Name: (3S)-3-[[(2S)-3-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxo-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxypentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-1-carbobenzoxyprolyl]amino]-3-methyl-butanoyl]amino]-4-keto-5-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-valeric acid Formula: C33H36F3N5O8 MolecularWeight: 687.66285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)COC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)COC1=CC(=NN1C2=CC=CC=C2)C(F)(F)F)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H36F3N5O8/c1-20(2)29(38-30(45)24-14-9-15-40(24)32(47)49-18-21-10-5-3-6-11-21)31(46)37-23(16-28(43)44)25(42)19-48-27-17-26(33(34,35)36)39-41(27)22-12-7-4-8-13-22/h3-8,10-13,17,20,23-24,29H,9,14-16,18-19H2,1-2H3,(H,37,46)(H,38,45)(H,43,44)/t23-,24-,29-/m0/s1