3-[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-3-(2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]-2-fluoranyl-propanoic acid

Systemtic Name: 3-[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-3-(2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]-2-fluoranyl-propanoic acid Openeye Name: 3-[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-3-(2-fluoro-3-hydroxy-3-oxo-propyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-oxo-propyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-oxo-propyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]-2-fluoro-propanoic acid CAS Name: 3-[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-3-(2-fluoro-3-hydroxy-3-oxopropyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]-2-fluoropropanoic acid IUPAC Name: 3-[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-3-(2-fluoro-3-hydroxy-3-oxopropyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]-2-fluoropropanoic acid Traditional Name: 3-[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-5-[[4-(carboxymethyl)-3-(2-fluoro-3-hydroxy-3-keto-propyl)-5-methylol-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-keto-propyl)-1H-pyrrol-2-yl]methyl]-3-(2-fluoro-3-hydroxy-3-keto-propyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]-2-fluoro-propionic acid Formula: C40H42F4N4O17 MolecularWeight: 926.771693

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CC(C(=O)O)F)CC(=O)O)CC(C(=O)O)F)CC(=O)O)CC(C(=O)O)F)CC(=O)O)CC(C(=O)O)F

Isomeric SMILES

C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CC(C(=O)O)F)CC(=O)O)CC(C(=O)O)F)CC(=O)O)CC(C(=O)O)F)CC(=O)O)CC(C(=O)O)F

InChI

InChI=1S/C40H42F4N4O17/c41-22(37(58)59)1-14-12-45-26(15(14)5-33(50)51)9-27-16(2-23(42)38(60)61)19(6-34(52)53)30(46-27)10-28-17(3-24(43)39(62)63)20(7-35(54)55)31(47-28)11-29-18(4-25(44)40(64)65)21(8-36(56)57)32(13-49)48-29/h12,22-25,45-49H,1-11,13H2,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)