(3R)-3-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione

Systemtic Name: (3R)-3-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione Openeye Name: (3R)-3-[(4-hydroxy-3-iodo-phenyl)methyl]-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione CAS Name: (3R)-3-[(4-hydroxy-3-iodophenyl)methyl]-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione IUPAC Name: (3R)-3-[(4-hydroxy-3-iodophenyl)methyl]-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione Traditional Name: (3R)-3-(4-hydroxy-3-iodo-benzyl)-4-methyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione Formula: C21H29IN2O5 MolecularWeight: 516.36983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)OCCCCCCCCC(=O)NCC1=O)CC2=CC(=C(C=C2)O)I

Isomeric SMILES

CN1[C@@H](C(=O)OCCCCCCCCC(=O)NCC1=O)CC2=CC(=C(C=C2)O)I

InChI

InChI=1S/C21H29IN2O5/c1-24-17(13-15-9-10-18(25)16(22)12-15)21(28)29-11-7-5-3-2-4-6-8-19(26)23-14-20(24)27/h9-10,12,17,25H,2-8,11,13-14H2,1H3,(H,23,26)/t17-/m1/s1