2-[[3-(cyclohexylamino)-2-cyclopropyl-imidazo[1,2-a]pyridin-7-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(cyclohexylamino)-2-cyclopropyl-imidazo[1,2-a]pyridin-7-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(cyclohexylamino)-2-cyclopropyl-imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-(cyclohexylamino)-2-cyclopropyl-7-imidazo[1,2-a]pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(cyclohexylamino)-2-cyclopropyl-imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenyl-propionic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)C5CC5

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)C5CC5

InChI

InChI=1S/C26H30N4O3/c31-25(28-21(26(32)33)15-17-7-3-1-4-8-17)19-13-14-30-22(16-19)29-23(18-11-12-18)24(30)27-20-9-5-2-6-10-20/h1,3-4,7-8,13-14,16,18,20-21,27H,2,5-6,9-12,15H2,(H,28,31)(H,32,33)