(2S)-4-[2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl]-1-[(2S,4R)-2-oxidanyl-5-[[(3S)-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-N-[2,2,2-tris(fluoranyl)ethyl]piperazine-2-carboxamide hydrochloride

Systemtic Name: (2S)-4-[2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl]-1-[(2S,4R)-2-oxidanyl-5-[[(3S)-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-N-[2,2,2-tris(fluoranyl)ethyl]piperazine-2-carboxamide hydrochloride Openeye Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S)-3-hydroxychroman-4-yl]amino]-5-oxo-pentyl]-4-[1-[5-(5-methoxy-3-pyridyl)oxazol-2-yl]-1-methyl-ethyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide hydrochloride CAS Name: (2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-[2-[5-(5-methoxy-3-pyridinyl)-2-oxazolyl]propan-2-yl]-N-(2,2,2-trifluoroethyl)-2-piperazinecarboxamide hydrochloride IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-[2-[5-(5-methoxypyridin-3-yl)-1,3-oxazol-2-yl]propan-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide hydrochloride Traditional Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S)-3-hydroxychroman-4-yl]amino]-5-keto-pentyl]-4-[1-[5-(5-methoxy-3-pyridyl)oxazol-2-yl]-1-methyl-ethyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide hydrochloride Formula: C40H48ClF3N6O7 MolecularWeight: 817.29333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC=C(O1)C2=CC(=CN=C2)OC)N3CCN(C(C3)C(=O)NCC(F)(F)F)CC(CC(CC4=CC=CC=C4)C(=O)NC5C(COC6=CC=CC=C56)O)O.Cl

Isomeric SMILES

CC(C)(C1=NC=C(O1)C2=CC(=CN=C2)OC)N3CCN([C@@H](C3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)NC5[C@@H](COC6=CC=CC=C56)O)O.Cl

InChI

InChI=1S/C40H47F3N6O7.ClH/c1-39(2,38-45-20-34(56-38)27-17-29(54-3)19-44-18-27)49-14-13-48(31(22-49)37(53)46-24-40(41,42)43)21-28(50)16-26(15-25-9-5-4-6-10-25)36(52)47-35-30-11-7-8-12-33(30)55-23-32(35)51;/h4-12,17-20,26,28,31-32,35,50-51H,13-16,21-24H2,1-3H3,(H,46,53)(H,47,52);1H/t26-,28+,31+,32-,35?;/m1./s1