(E)-5-[5-(2-azanyl-2-oxidanylidene-ethyl)-1,4-dimethyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-[5-(2-azanyl-2-oxidanylidene-ethyl)-1,4-dimethyl-imidazol-2-yl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-[5-(2-amino-2-oxo-ethyl)-1,4-dimethyl-imidazol-2-yl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[[5-(2-amino-2-oxoethyl)-1,4-dimethyl-2-imidazolyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-[5-(2-amino-2-oxoethyl)-1,4-dimethylimidazol-2-yl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[[5-(2-amino-2-keto-ethyl)-1,4-dimethyl-imidazol-2-yl]thio]-4-hydroxy-nonadec-6-enoic acid Formula: C26H45N3O4S MolecularWeight: 495.7182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SC1=NC(=C(N1C)CC(=O)N)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SC1=NC(=C(N1C)CC(=O)N)C

InChI

InChI=1S/C26H45N3O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23(22(30)17-18-25(32)33)34-26-28-20(2)21(29(26)3)19-24(27)31/h15-16,22-23,30H,4-14,17-19H2,1-3H3,(H2,27,31)(H,32,33)/b16-15+