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

Systemtic Name: (E)-5-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-4-oxidanyl-henicos-6-enoic acid Openeye Name: (E)-5-(3-amino-3-oxo-propyl)sulfanyl-4-hydroxy-henicos-6-enoic acid CAS Name: (E)-5-[(3-amino-3-oxopropyl)thio]-4-hydroxy-6-heneicosenoic acid IUPAC Name: (E)-5-(3-amino-3-oxopropyl)sulfanyl-4-hydroxyhenicos-6-enoic acid Traditional Name: (E)-5-[(3-amino-3-keto-propyl)thio]-4-hydroxy-heneicos-6-enoic acid Formula: C24H45NO4S MolecularWeight: 443.6834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(30-20-19-23(25)27)21(26)17-18-24(28)29/h15-16,21-22,26H,2-14,17-20H2,1H3,(H2,25,27)(H,28,29)/b16-15+