(E)-5-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoyl]-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoyl]-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-[2-[(2-amino-3-sulfanyl-propanoyl)amino]acetyl]-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxoethyl]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[2-[(2-amino-3-mercapto-propanoyl)amino]acetyl]-4-hydroxy-nonadec-6-enoic acid Formula: C24H44N2O5S MolecularWeight: 472.68156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CCC(=O)O)O)C(=O)CNC(=O)C(CS)N

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)C(=O)CNC(=O)C(CS)N

InChI

InChI=1S/C24H44N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(21(27)15-16-23(29)30)22(28)17-26-24(31)20(25)18-32/h13-14,19-21,27,32H,2-12,15-18,25H2,1H3,(H,26,31)(H,29,30)/b14-13+