2-fluoranylethyl 6-azanyl-2-[[3-(1-benzothiophen-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate

Systemtic Name: 2-fluoranylethyl 6-azanyl-2-[[3-(1-benzothiophen-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate Openeye Name: 2-fluoranylethyl 6-amino-2-[[3-(benzothiophen-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate CAS Name: 6-amino-2-[[3-(1-benzothiophen-3-yl)-1-oxo-2-[[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]amino]butyl]amino]hexanoic acid 2-fluoranylethyl ester IUPAC Name: 2-fluoranylethyl 6-amino-2-[[3-(1-benzothiophen-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate Traditional Name: 6-amino-2-[[3-(benzothiophen-3-yl)-2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoic acid 2-fluoranylethyl ester Formula: C33H41FN6O5S MolecularWeight: 651.781778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC2=CC=CC=C21)C(C(=O)NC(CCCCN)C(=O)OCCF)NC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C1=CSC2=CC=CC=C21)C(C(=O)NC(CCCCN)C(=O)OCC[18F])NC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C33H41FN6O5S/c1-21(24-20-46-28-12-5-2-8-23(24)28)29(30(41)36-26(10-6-7-16-35)31(42)45-19-15-34)38-32(43)39-17-13-22(14-18-39)40-27-11-4-3-9-25(27)37-33(40)44/h2-5,8-9,11-12,20-22,26,29H,6-7,10,13-19,35H2,1H3,(H,36,41)(H,37,44)(H,38,43)/i34-1