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4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl His-Pro Dev
SpectraBase Compound ID 8S6kIRZcqmi
InChI InChI=1S/C27H26I2N6O4/c1-13-6-19-20(7-14(13)2)33-24(32-19)23-17(28)8-15(9-18(23)29)25(36)34-21(10-16-11-30-12-31-16)26(37)35-5-3-4-22(35)27(38)39/h6-9,11-12,21-22H,3-5,10H2,1-2H3,(H,30,31)(H,32,33)(H,34,36)(H,38,39)
InChIKey KDQIQLYVZOPSIE-UHFFFAOYSA-N
Mol Weight 752.35 g/mol
Molecular Formula C27H26I2N6O4
Exact Mass 752.010493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak4AVtIfRwf
Name 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl His-Pro Dev
Alternate Name(s) 1-(2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzamido)-3-(1H-imidazol-4-yl)propanoyl)pyrrolidine-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26I2N6O4
InChI InChI=1S/C27H26I2N6O4/c1-13-6-19-20(7-14(13)2)33-24(32-19)23-17(28)8-15(9-18(23)29)25(36)34-21(10-16-11-30-12-31-16)26(37)35-5-3-4-22(35)27(38)39/h6-9,11-12,21-22H,3-5,10H2,1-2H3,(H,30,31)(H,32,33)(H,34,36)(H,38,39)
InChIKey KDQIQLYVZOPSIE-UHFFFAOYSA-N
Molecular Weight 752.352 g/mol
SMILES [nH]1c2cc(c(cc2nc1-c1c(cc(C(NC(Cc2c[nH]cn2)C(N2C(C(=O)O)CCC2)=O)=O)cc1I)I)C)C
SPLASH splash10-0udi-3501193200-14649d35302dc5d7b90e
Source of Spectrum EMC-42-794-6ea
Wiley ID 1734305