2-[[2-[[2,6-bis(oxidanyl)-1-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]hexyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[[2,6-bis(oxidanyl)-1-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]hexyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2,6-dihydroxy-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]hexyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[2,6-dihydroxy-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]hexyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2,6-dihydroxy-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]hexyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2,6-dihydroxy-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]hexyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C28H44N2O6S MolecularWeight: 536.72376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1=CC(=CC=C1)C(C(CCCCO)O)NC(CS)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1=CC(=CC=C1)C(C(CCCCO)O)NC(CS)C(=O)NCC(=O)O)O

InChI

InChI=1S/C28H44N2O6S/c1-2-3-4-5-6-7-13-23(32)16-15-21-11-10-12-22(18-21)27(25(33)14-8-9-17-31)30-24(20-37)28(36)29-19-26(34)35/h6-7,10-12,15-16,18,23-25,27,30-33,37H,2-5,8-9,13-14,17,19-20H2,1H3,(H,29,36)(H,34,35)/b7-6+,16-15+