(E,6S,7S)-N-(2-aminophenyl)-7-(5-iodanyl-2-oxidanyl-phenyl)-6-methyl-7-oxidanyl-hept-2-enamide

Systemtic Name: (E,6S,7S)-N-(2-aminophenyl)-7-(5-iodanyl-2-oxidanyl-phenyl)-6-methyl-7-oxidanyl-hept-2-enamide Openeye Name: (E,6S,7S)-N-(2-aminophenyl)-7-hydroxy-7-(2-hydroxy-5-iodo-phenyl)-6-methyl-hept-2-enamide CAS Name: (E,6S,7S)-N-(2-aminophenyl)-7-hydroxy-7-(2-hydroxy-5-iodophenyl)-6-methyl-2-heptenamide IUPAC Name: (E,6S,7S)-N-(2-aminophenyl)-7-hydroxy-7-(2-hydroxy-5-iodophenyl)-6-methylhept-2-enamide Traditional Name: (E,6S,7S)-N-(2-aminophenyl)-7-hydroxy-7-(2-hydroxy-5-iodo-phenyl)-6-methyl-hept-2-enamide Formula: C20H23IN2O3 MolecularWeight: 466.31269

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=CC(=O)NC1=CC=CC=C1N)C(C2=C(C=CC(=C2)I)O)O

Isomeric SMILES

C[C@@H](CC/C=C/C(=O)NC1=CC=CC=C1N)[C@@H](C2=C(C=CC(=C2)I)O)O

InChI

InChI=1S/C20H23IN2O3/c1-13(20(26)15-12-14(21)10-11-18(15)24)6-2-5-9-19(25)23-17-8-4-3-7-16(17)22/h3-5,7-13,20,24,26H,2,6,22H2,1H3,(H,23,25)/b9-5+/t13-,20-/m0/s1