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4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Ala-Tyr-Gly Dev.
SpectraBase Compound ID KD4xhpzsGVr
InChI InChI=1S/C31H31I2N5O6/c1-15-9-23-24(10-16(15)2)37-28(36-23)27-21(32)12-19(13-22(27)33)30(42)35-17(3)29(41)38-25(31(43)34-14-26(40)44-4)11-18-5-7-20(39)8-6-18/h5-10,12-13,17,25,39H,11,14H2,1-4H3,(H,34,43)(H,35,42)(H,36,37)(H,38,41)
InChIKey JOXYTOLDUFXSKU-UHFFFAOYSA-N
Mol Weight 823.43 g/mol
Molecular Formula C31H31I2N5O6
Exact Mass 823.036374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZRF2ilR57e
Name 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Ala-Tyr-Gly Dev.
Alternate Name(s) Methyl 2-(2-(2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzamido)propanamido)-3-(4-hydroxyphenyl)propanamido)acetate
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Formula C31H31I2N5O6
InChI InChI=1S/C31H31I2N5O6/c1-15-9-23-24(10-16(15)2)37-28(36-23)27-21(32)12-19(13-22(27)33)30(42)35-17(3)29(41)38-25(31(43)34-14-26(40)44-4)11-18-5-7-20(39)8-6-18/h5-10,12-13,17,25,39H,11,14H2,1-4H3,(H,34,43)(H,35,42)(H,36,37)(H,38,41)
InChIKey JOXYTOLDUFXSKU-UHFFFAOYSA-N
Molecular Weight 823.427 g/mol
SMILES [nH]1c2cc(c(cc2nc1-c1c(cc(C(NC(C(NC(Cc2ccc(cc2)O)C(NCC(=O)OC)=O)=O)C)=O)cc1I)I)C)C
SPLASH splash10-00di-2400190610-848f0f0a2958e056f81d
Source of Spectrum EMC-42-788-6f
Wiley ID 1735562