(E)-6-(2-azanyl-3-sulfanyl-propanoyl)-5-oxidanyl-13-phenyl-tridec-7-enoic acid

Systemtic Name: (E)-6-(2-azanyl-3-sulfanyl-propanoyl)-5-oxidanyl-13-phenyl-tridec-7-enoic acid Openeye Name: (E)-6-(2-amino-3-sulfanyl-propanoyl)-5-hydroxy-13-phenyl-tridec-7-enoic acid CAS Name: (E)-6-(2-amino-3-mercapto-1-oxopropyl)-5-hydroxy-13-phenyl-7-tridecenoic acid IUPAC Name: (E)-6-(2-amino-3-sulfanylpropanoyl)-5-hydroxy-13-phenyltridec-7-enoic acid Traditional Name: (E)-6-(2-amino-3-mercapto-propanoyl)-5-hydroxy-13-phenyl-tridec-7-enoic acid Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC=CC(C(CCCC(=O)O)O)C(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC/C=C/C(C(CCCC(=O)O)O)C(=O)C(CS)N

InChI

InChI=1S/C22H33NO4S/c23-19(16-28)22(27)18(20(24)14-9-15-21(25)26)13-8-3-1-2-5-10-17-11-6-4-7-12-17/h4,6-8,11-13,18-20,24,28H,1-3,5,9-10,14-16,23H2,(H,25,26)/b13-8+