(E)-5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-heptadec-6-enoic acid

Systemtic Name: (E)-5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-heptadec-6-enoic acid Openeye Name: (E)-5-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-4-hydroxy-heptadec-6-enoic acid CAS Name: (E)-5-[(2-amino-3-hydroxy-3-oxopropyl)thio]-4-hydroxy-6-heptadecenoic acid IUPAC Name: (E)-5-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-4-hydroxyheptadec-6-enoic acid Traditional Name: (E)-5-[(2-amino-3-hydroxy-3-keto-propyl)thio]-4-hydroxy-heptadec-6-enoic acid Formula: C20H37NO5S MolecularWeight: 403.57648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCC(C(=O)O)N

InChI

InChI=1S/C20H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-18(17(22)13-14-19(23)24)27-15-16(21)20(25)26/h11-12,16-18,22H,2-10,13-15,21H2,1H3,(H,23,24)(H,25,26)/b12-11+