(2S)-2-[(4-iodophenyl)methylcarbamoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(4-iodophenyl)methylcarbamoylamino]pentanedioic acid Openeye Name: (2S)-2-[(4-iodophenyl)methylcarbamoylamino]pentanedioic acid CAS Name: (2S)-2-[[[(4-iodophenyl)methylamino]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(4-iodophenyl)methylcarbamoylamino]pentanedioic acid Traditional Name: (2S)-2-[(4-iodobenzyl)carbamoylamino]glutaric acid Formula: C13H15IN2O5 MolecularWeight: 406.17307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NC(CCC(=O)O)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)I

InChI

InChI=1S/C13H15IN2O5/c14-9-3-1-8(2-4-9)7-15-13(21)16-10(12(19)20)5-6-11(17)18/h1-4,10H,5-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m0/s1