(E)-2-(2-azanylethanoyl)-5-(2-azanyl-3-sulfanyl-propanoyl)-4-oxidanyl-nonadec-6-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CC(C(=O)CN)C(=O)O)O)C(=O)C(CS)N

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CC(C(=O)CN)C(=O)O)O)C(=O)C(CS)N

InChI

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