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

Systemtic Name: (2R)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylbutanoate Openeye Name: (2R)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate CAS Name: (2R)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]butanoate IUPAC Name: (2R)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylbutanoate Traditional Name: (2R)-2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]butyrate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-2-13(14(19)20)21-15-16-12(10-18)9-17(15)8-11-6-4-3-5-7-11/h3-7,9,13,18H,2,8,10H2,1H3,(H,19,20)/p-1/t13-/m1/s1