(2R)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylhexanoate

Systemtic Name: (2R)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylhexanoate Openeye Name: (2R)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylhexanoate CAS Name: (2R)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]hexanoate IUPAC Name: (2R)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylhexanoate Traditional Name: (2R)-2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]hexanoate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])SC1=NC(=CN1CC2=CC=CC=C2)CO

Isomeric SMILES

CCCC[C@H](C(=O)[O-])SC1=NC(=CN1CC2=CC=CC=C2)CO

InChI

InChI=1S/C17H22N2O3S/c1-2-3-9-15(16(21)22)23-17-18-14(12-20)11-19(17)10-13-7-5-4-6-8-13/h4-8,11,15,20H,2-3,9-10,12H2,1H3,(H,21,22)/p-1/t15-/m1/s1