(2S)-2-[(2-chloranyl-5-fluoranyl-phenyl)carbonylamino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[(2-chloranyl-5-fluoranyl-phenyl)carbonylamino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid Openeye Name: (2S)-2-[(2-chloro-5-fluoro-benzoyl)amino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid CAS Name: (2S)-2-[[(2-chloro-5-fluorophenyl)-oxomethyl]amino]-3-[4-[2-(cyclopropylmethyl)-3-imidazo[4,5-b]pyridinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2-chloro-5-fluorobenzoyl)amino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid Traditional Name: (2S)-2-[(2-chloro-5-fluoro-benzoyl)amino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propionic acid Formula: C26H22ClFN4O3 MolecularWeight: 492.929283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=NC3=C(N2C4=CC=C(C=C4)CC(C(=O)O)NC(=O)C5=C(C=CC(=C5)F)Cl)N=CC=C3

Isomeric SMILES

C1CC1CC2=NC3=C(N2C4=CC=C(C=C4)C[C@@H](C(=O)O)NC(=O)C5=C(C=CC(=C5)F)Cl)N=CC=C3

InChI

InChI=1S/C26H22ClFN4O3/c27-20-10-7-17(28)14-19(20)25(33)31-22(26(34)35)12-15-5-8-18(9-6-15)32-23(13-16-3-4-16)30-21-2-1-11-29-24(21)32/h1-2,5-11,14,16,22H,3-4,12-13H2,(H,31,33)(H,34,35)/t22-/m0/s1