2-[8-tert-butyl-2-(4-carbamimidoylphenyl)-6-formamido-imidazo[1,2-a]pyridin-3-yl]propanoic acid

Systemtic Name: 2-[8-tert-butyl-2-(4-carbamimidoylphenyl)-6-formamido-imidazo[1,2-a]pyridin-3-yl]propanoic acid Openeye Name: 2-[8-tert-butyl-2-(4-carbamimidoylphenyl)-6-formamido-imidazo[1,2-a]pyridin-3-yl]propanoic acid CAS Name: 2-[8-tert-butyl-2-(4-carbamimidoylphenyl)-6-formamido-3-imidazo[1,2-a]pyridinyl]propanoic acid IUPAC Name: 2-[8-tert-butyl-2-(4-carbamimidoylphenyl)-6-formamidoimidazo[1,2-a]pyridin-3-yl]propanoic acid Traditional Name: 2-[2-(4-amidinophenyl)-8-tert-butyl-6-formamido-imidazo[1,2-a]pyridin-3-yl]propionic acid Formula: C22H25N5O3 MolecularWeight: 407.4656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N=C2N1C=C(C=C2C(C)(C)C)NC=O)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1=C(N=C2N1C=C(C=C2C(C)(C)C)NC=O)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H25N5O3/c1-12(21(29)30)18-17(13-5-7-14(8-6-13)19(23)24)26-20-16(22(2,3)4)9-15(25-11-28)10-27(18)20/h5-12H,1-4H3,(H3,23,24)(H,25,28)(H,29,30)