(Z,4S,5R)-5-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (Z,4S,5R)-5-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (Z,4S,5R)-5-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (Z,4S,5R)-5-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (Z,4S,5R)-5-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (Z,4S,5R)-5-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-4-hydroxy-nonadec-6-enoic acid Formula: C22H41NO5S MolecularWeight: 431.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC/C=C\[C@H]([C@H](CCC(=O)O)O)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C22H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(19(24)15-16-21(25)26)29-17-18(23)22(27)28/h13-14,18-20,24H,2-12,15-17,23H2,1H3,(H,25,26)(H,27,28)/b14-13-/t18-,19-,20+/m0/s1