(E,5R,6S)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-9-(2-heptylphenyl)-5-oxidanyl-non-7-enoic acid

Systemtic Name: (E,5R,6S)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-9-(2-heptylphenyl)-5-oxidanyl-non-7-enoic acid Openeye Name: (E,5R,6S)-6-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-9-(2-heptylphenyl)-5-hydroxy-non-7-enoic acid CAS Name: (E,5R,6S)-6-[(2-amino-3-hydroxy-3-oxopropyl)thio]-9-(2-heptylphenyl)-5-hydroxy-7-nonenoic acid IUPAC Name: (E,5R,6S)-6-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-9-(2-heptylphenyl)-5-hydroxynon-7-enoic acid Traditional Name: (E,5R,6S)-6-[(2-amino-3-hydroxy-3-keto-propyl)thio]-9-(2-heptylphenyl)-5-hydroxy-non-7-enoic acid Formula: C25H39NO5S MolecularWeight: 465.64586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=C1CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCC1=CC=CC=C1C/C=C/[C@@H]([C@@H](CCCC(=O)O)O)SCC(C(=O)O)N

InChI

InChI=1S/C25H39NO5S/c1-2-3-4-5-6-11-19-12-7-8-13-20(19)14-9-16-23(32-18-21(26)25(30)31)22(27)15-10-17-24(28)29/h7-9,12-13,16,21-23,27H,2-6,10-11,14-15,17-18,26H2,1H3,(H,28,29)(H,30,31)/b16-9+/t21?,22-,23+/m1/s1