methyl 2-[[3-methyl-2-[[4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-[1-[2,2,2-tris(fluoranyl)-1-oxidanyl-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoate

Systemtic Name: methyl 2-[[3-methyl-2-[[4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-[1-[2,2,2-tris(fluoranyl)-1-oxidanyl-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[1-(benzyloxycarbonylamino)-2,2,2-trifluoro-1-hydroxy-ethyl]imidazol-4-yl]-2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoate CAS Name: 2-[[3-methyl-2-[[4-methyl-1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]pentyl]amino]-1-oxobutyl]amino]-3-[1-[2,2,2-trifluoro-1-hydroxy-1-(phenylmethoxycarbonylamino)ethyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-[[4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-[1-[2,2,2-trifluoro-1-hydroxy-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[1-(benzyloxycarbonylamino)-2,2,2-trifluoro-1-hydroxy-ethyl]imidazol-4-yl]-2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propionic acid methyl ester Formula: C58H64F3N7O10S MolecularWeight: 1108.22987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CN(C=N1)C(C(F)(F)F)(NC(=O)OCC2=CC=CC=C2)O)C(=O)OC)NC(=O)C(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CN(C=N1)C(C(F)(F)F)(NC(=O)OCC2=CC=CC=C2)O)C(=O)OC)NC(=O)C(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C58H64F3N7O10S/c1-38(2)31-46(50(69)66-49(39(3)4)52(71)64-47(53(72)76-5)32-45-33-68(37-62-45)58(75,57(59,60)61)67-55(74)78-35-41-23-13-7-14-24-41)63-51(70)48(65-54(73)77-34-40-21-11-6-12-22-40)36-79-56(42-25-15-8-16-26-42,43-27-17-9-18-28-43)44-29-19-10-20-30-44/h6-30,33,37-39,46-49,75H,31-32,34-36H2,1-5H3,(H,63,70)(H,64,71)(H,65,73)(H,66,69)(H,67,74)