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4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Gly-Ile-Gly-Thr Dev
SpectraBase Compound ID GTvEjPucJjX
InChI InChI=1S/C31H38I2N6O7/c1-7-14(2)26(30(44)35-13-24(42)39-27(17(5)40)31(45)46-6)38-23(41)12-34-29(43)18-10-19(32)25(20(33)11-18)28-36-21-8-15(3)16(4)9-22(21)37-28/h8-11,14,17,26-27,40H,7,12-13H2,1-6H3,(H,34,43)(H,35,44)(H,36,37)(H,38,41)(H,39,42)
InChIKey DHHXAZDVIVVTKW-UHFFFAOYSA-N
Mol Weight 860.5 g/mol
Molecular Formula C31H38I2N6O7
Exact Mass 860.089138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvzHJvowl7u
Name 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Gly-Ile-Gly-Thr Dev
Alternate Name(s) 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Gly-Lle-Gly-Thr Dev Methyl 6-(sec-butyl)-1-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodophenyl)-12-(1-hydroxyethyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oate
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Formula C31H38I2N6O7
InChI InChI=1S/C31H38I2N6O7/c1-7-14(2)26(30(44)35-13-24(42)39-27(17(5)40)31(45)46-6)38-23(41)12-34-29(43)18-10-19(32)25(20(33)11-18)28-36-21-8-15(3)16(4)9-22(21)37-28/h8-11,14,17,26-27,40H,7,12-13H2,1-6H3,(H,34,43)(H,35,44)(H,36,37)(H,38,41)(H,39,42)
InChIKey DHHXAZDVIVVTKW-UHFFFAOYSA-N
Molecular Weight 860.489 g/mol
SMILES [nH]1c2cc(c(cc2nc1-c1c(cc(C(NCC(NC(C(NCC(NC(C(O)C)C(=O)OC)=O)=O)C(CC)C)=O)=O)cc1I)I)C)C
SPLASH splash10-00di-4400159340-c082a8fd537ca0e57074
Source of Spectrum EMC-42-789-6h
Wiley ID 1735561