(6Z,9Z,11E,13E,15R,16S)-15-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-16-oxidanyl-icosa-6,9,11,13-tetraenedioic acid

Systemtic Name: (6Z,9Z,11E,13E,15R,16S)-15-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-16-oxidanyl-icosa-6,9,11,13-tetraenedioic acid Openeye Name: (6Z,9Z,11E,13E,15R,16S)-15-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-16-hydroxy-icosa-6,9,11,13-tetraenedioic acid CAS Name: (6Z,9Z,11E,13E,15R,16S)-15-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-16-hydroxyeicosa-6,9,11,13-tetraenedioic acid IUPAC Name: (6Z,9Z,11E,13E,15R,16S)-15-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-16-hydroxyicosa-6,9,11,13-tetraenedioic acid Traditional Name: (6Z,9Z,11E,13E,15R,16S)-15-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-16-hydroxy-eicosa-6,9,11,13-tetraenedioic acid Formula: C25H37NO8S MolecularWeight: 511.62818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(C=CC=CC=CCC=CCCCCC(=O)O)C(CCCC(=O)O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC(=O)O)[C@H](CCCC(=O)O)O)C(=O)O

InChI

InChI=1S/C25H37NO8S/c1-19(27)26-20(25(33)34)18-35-22(21(28)14-13-17-24(31)32)15-11-9-7-5-3-2-4-6-8-10-12-16-23(29)30/h3-7,9,11,15,20-22,28H,2,8,10,12-14,16-18H2,1H3,(H,26,27)(H,29,30)(H,31,32)(H,33,34)/b5-3-,6-4-,9-7+,15-11+/t20?,21-,22+/m0/s1