(E)-2-azanyl-5-(1H-imidazol-5-yl)-2-(2-methylphenyl)-3-(methylsulfanylmethyl)pent-4-enoic acid

Systemtic Name: (E)-2-azanyl-5-(1H-imidazol-5-yl)-2-(2-methylphenyl)-3-(methylsulfanylmethyl)pent-4-enoic acid Openeye Name: (E)-2-amino-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(o-tolyl)pent-4-enoic acid CAS Name: (E)-2-amino-5-(1H-imidazol-5-yl)-2-(2-methylphenyl)-3-[(methylthio)methyl]-4-pentenoic acid IUPAC Name: (E)-2-amino-5-(1H-imidazol-5-yl)-2-(2-methylphenyl)-3-(methylsulfanylmethyl)pent-4-enoic acid Traditional Name: (E)-2-amino-5-(1H-imidazol-5-yl)-3-[(methylthio)methyl]-2-(o-tolyl)pent-4-enoic acid Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(CSC)C=CC2=CN=CN2)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C(C(CSC)/C=C/C2=CN=CN2)(C(=O)O)N

InChI

InChI=1S/C17H21N3O2S/c1-12-5-3-4-6-15(12)17(18,16(21)22)13(10-23-2)7-8-14-9-19-11-20-14/h3-9,11,13H,10,18H2,1-2H3,(H,19,20)(H,21,22)/b8-7+