2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methyl]-2-sulfanyl-butanedioic acid

Systemtic Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methyl]-2-sulfanyl-butanedioic acid Openeye Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methyl]-2-sulfanyl-butanedioic acid CAS Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]-4-imidazolyl]methyl]-2-mercaptobutanedioic acid IUPAC Name: 2-[[2-butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methyl]-2-sulfanylbutanedioic acid Traditional Name: 2-[[2-butyl-3-(4-carboxybenzyl)imidazol-4-yl]methyl]-2-mercapto-succinic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(CC(=O)O)(C(=O)O)S

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(CC(=O)O)(C(=O)O)S

InChI

InChI=1S/C20H24N2O6S/c1-2-3-4-16-21-11-15(9-20(29,19(27)28)10-17(23)24)22(16)12-13-5-7-14(8-6-13)18(25)26/h5-8,11,29H,2-4,9-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)