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

Systemtic Name: (E)-5-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-heptadec-6-enoic acid Openeye Name: (E)-5-(3-amino-3-oxo-propyl)sulfanyl-4-hydroxy-heptadec-6-enoic acid CAS Name: (E)-5-[(3-amino-3-oxopropyl)thio]-4-hydroxy-6-heptadecenoic acid IUPAC Name: (E)-5-(3-amino-3-oxopropyl)sulfanyl-4-hydroxyheptadec-6-enoic acid Traditional Name: (E)-5-[(3-amino-3-keto-propyl)thio]-4-hydroxy-heptadec-6-enoic acid Formula: C20H37NO4S MolecularWeight: 387.57708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-18(26-16-15-19(21)23)17(22)13-14-20(24)25/h11-12,17-18,22H,2-10,13-16H2,1H3,(H2,21,23)(H,24,25)/b12-11+