(E,5R,6S)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-9-(4-heptylphenyl)-5-oxidanyl-non-7-enoic acid

Systemtic Name: (E,5R,6S)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-9-(4-heptylphenyl)-5-oxidanyl-non-7-enoic acid Openeye Name: (E,5R,6S)-6-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-9-(4-heptylphenyl)-5-hydroxy-non-7-enoic acid CAS Name: (E,5R,6S)-6-[(2-amino-3-hydroxy-3-oxopropyl)thio]-9-(4-heptylphenyl)-5-hydroxy-7-nonenoic acid IUPAC Name: (E,5R,6S)-6-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-9-(4-heptylphenyl)-5-hydroxynon-7-enoic acid Traditional Name: (E,5R,6S)-6-[(2-amino-3-hydroxy-3-keto-propyl)thio]-9-(4-heptylphenyl)-5-hydroxy-non-7-enoic acid Formula: C25H39NO5S MolecularWeight: 465.64586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C/C=C/[C@@H]([C@@H](CCCC(=O)O)O)SCC(C(=O)O)N

InChI

InChI=1S/C25H39NO5S/c1-2-3-4-5-6-9-19-14-16-20(17-15-19)10-7-12-23(32-18-21(26)25(30)31)22(27)11-8-13-24(28)29/h7,12,14-17,21-23,27H,2-6,8-11,13,18,26H2,1H3,(H,28,29)(H,30,31)/b12-7+/t21?,22-,23+/m1/s1