(2S)-1-[(2S,4R)-2-oxidanyl-5-[[(3S,4S)-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxidanylidene-4-(thiophen-2-ylmethyl)pentyl]-4-[(5-pyrimidin-5-ylfuran-2-yl)methyl]-N-[2,2,2-tris(fluoranyl)ethyl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-[(2S,4R)-2-oxidanyl-5-[[(3S,4S)-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxidanylidene-4-(thiophen-2-ylmethyl)pentyl]-4-[(5-pyrimidin-5-ylfuran-2-yl)methyl]-N-[2,2,2-tris(fluoranyl)ethyl]piperazine-2-carboxamide Openeye Name: (2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-oxo-4-(2-thienylmethyl)pentyl]-4-[(5-pyrimidin-5-yl-2-furyl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide CAS Name: (2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-5-oxo-4-(thiophen-2-ylmethyl)pentyl]-4-[[5-(5-pyrimidinyl)-2-furanyl]methyl]-N-(2,2,2-trifluoroethyl)-2-piperazinecarboxamide IUPAC Name: (2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-(thiophen-2-ylmethyl)pentyl]-4-[(5-pyrimidin-5-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide Traditional Name: (2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-keto-4-(2-thenyl)pentyl]-4-[[5-(5-pyrimidyl)-2-furyl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide Formula: C35H39F3N6O6S MolecularWeight: 728.78097

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=C(O2)C3=CN=CN=C3)C(=O)NCC(F)(F)F)CC(CC(CC4=CC=CS4)C(=O)NC5C(COC6=CC=CC=C56)O)O

Isomeric SMILES

C1CN([C@@H](CN1CC2=CC=C(O2)C3=CN=CN=C3)C(=O)NCC(F)(F)F)C[C@H](C[C@H](CC4=CC=CS4)C(=O)N[C@@H]5[C@@H](COC6=CC=CC=C56)O)O

InChI

InChI=1S/C35H39F3N6O6S/c36-35(37,38)20-41-34(48)28-18-43(17-25-7-8-30(50-25)23-14-39-21-40-15-23)9-10-44(28)16-24(45)12-22(13-26-4-3-11-51-26)33(47)42-32-27-5-1-2-6-31(27)49-19-29(32)46/h1-8,11,14-15,21-22,24,28-29,32,45-46H,9-10,12-13,16-20H2,(H,41,48)(H,42,47)/t22-,24+,28+,29-,32+/m1/s1