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4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-benzoyl Nitro(Arg) Dev.
SpectraBase Compound ID GUTuzC6VmTM
InChI InChI=1S/C22H25N7O5/c1-11-9-15-16(10-12(11)2)27-19(26-15)13-3-5-14(6-4-13)20(30)28-18(21(31)32)17(29(33)34)7-8-25-22(23)24/h3-6,9-10,17-18H,7-8H2,1-2H3,(H,26,27)(H,28,30)(H,31,32)(H4,23,24,25)
InChIKey UCKLPFLXEIJDNE-UHFFFAOYSA-N
Mol Weight 467.49 g/mol
Molecular Formula C22H25N7O5
Exact Mass 467.191717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FBU9JL3pXg
Name 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-benzoyl Nitro(Arg) Dev.
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Formula C22H25N7O5
InChI InChI=1S/C22H25N7O5/c1-11-9-15-16(10-12(11)2)27-19(26-15)13-3-5-14(6-4-13)20(30)28-18(21(31)32)17(29(33)34)7-8-25-22(23)24/h3-6,9-10,17-18H,7-8H2,1-2H3,(H,26,27)(H,28,30)(H,31,32)(H4,23,24,25)
InChIKey UCKLPFLXEIJDNE-UHFFFAOYSA-N
Molecular Weight 467.486 g/mol
SMILES N(C(=N)N)CCC(C(C(=O)O)NC(c1ccc(-c2nc3cc(C)c(cc3[nH]2)C)cc1)=O)N(=O)=O
SPLASH splash10-00di-6390200000-6c78d7eb39b3f71b735f
Source of Spectrum EMC-42-792-5ba
Synonyms 2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)benzamido)-5-guanidino-3-nitropentanoic acid
Wiley ID 1735556