5-(5-acetamido-2-iodanyl-phenyl)-3-(acetamidomethyl)pentanoic acid

Systemtic Name: 5-(5-acetamido-2-iodanyl-phenyl)-3-(acetamidomethyl)pentanoic acid Openeye Name: 5-(5-acetamido-2-iodo-phenyl)-3-(acetamidomethyl)pentanoic acid CAS Name: 5-(5-acetamido-2-iodophenyl)-3-(acetamidomethyl)pentanoic acid IUPAC Name: 5-(5-acetamido-2-iodophenyl)-3-(acetamidomethyl)pentanoic acid Traditional Name: 5-(5-acetamido-2-iodo-phenyl)-3-(acetamidomethyl)valeric acid Formula: C16H21IN2O4 MolecularWeight: 432.25341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CCC1=C(C=CC(=C1)NC(=O)C)I)CC(=O)O

Isomeric SMILES

CC(=O)NCC(CCC1=C(C=CC(=C1)NC(=O)C)I)CC(=O)O

InChI

InChI=1S/C16H21IN2O4/c1-10(20)18-9-12(7-16(22)23)3-4-13-8-14(19-11(2)21)5-6-15(13)17/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)