(2S)-2-[[4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-methyl-butyric acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)N1CCC2=C(C1C3=C(C=CC(=C3)OC)OC)N=CN2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)N1CCC2=C(C1C3=C(C=CC(=C3)OC)OC)N=CN2

InChI

InChI=1S/C20H26N4O5/c1-11(2)16(19(25)26)23-20(27)24-8-7-14-17(22-10-21-14)18(24)13-9-12(28-3)5-6-15(13)29-4/h5-6,9-11,16,18H,7-8H2,1-4H3,(H,21,22)(H,23,27)(H,25,26)/t16-,18?/m0/s1