2-[[2-azanyl-3-[(7E,9E)-5-oxidanylicosa-7,9-dien-6-yl]sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-azanyl-3-[(7E,9E)-5-oxidanylicosa-7,9-dien-6-yl]sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-amino-3-[(2E,4E)-1-(1-hydroxypentyl)pentadeca-2,4-dienyl]sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-amino-3-[[(7E,9E)-5-hydroxyeicosa-7,9-dien-6-yl]thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-amino-3-[(7E,9E)-5-hydroxyicosa-7,9-dien-6-yl]sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-amino-3-[[(2E,4E)-1-(1-hydroxypentyl)pentadeca-2,4-dienyl]thio]propanoyl]amino]acetic acid Formula: C25H46N2O4S MolecularWeight: 470.70874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC=CC(C(CCCC)O)SCC(C(=O)NCC(=O)O)N

Isomeric SMILES

CCCCCCCCCC/C=C/C=C/C(C(CCCC)O)SCC(C(=O)NCC(=O)O)N

InChI

InChI=1S/C25H46N2O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23(22(28)17-6-4-2)32-20-21(26)25(31)27-19-24(29)30/h14-16,18,21-23,28H,3-13,17,19-20,26H2,1-2H3,(H,27,31)(H,29,30)/b15-14+,18-16+