2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid Traditional Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C)S(=O)(=O)C1=CC=C(C=C1)CC2=NC=CC3=C2N=CN3

Isomeric SMILES

CC(C)CC(C(=O)O)N(C)S(=O)(=O)C1=CC=C(C=C1)CC2=NC=CC3=C2N=CN3

InChI

InChI=1S/C20H24N4O4S/c1-13(2)10-18(20(25)26)24(3)29(27,28)15-6-4-14(5-7-15)11-17-19-16(8-9-21-17)22-12-23-19/h4-9,12-13,18H,10-11H2,1-3H3,(H,22,23)(H,25,26)