(2S)-2-(carboxymethylcarbamoylamino)-6-[(4-iodophenyl)carbonylamino]hexanoic acid

Systemtic Name: (2S)-2-(carboxymethylcarbamoylamino)-6-[(4-iodophenyl)carbonylamino]hexanoic acid Openeye Name: (2S)-2-(carboxymethylcarbamoylamino)-6-[(4-iodobenzoyl)amino]hexanoic acid CAS Name: (2S)-2-[[(carboxymethylamino)-oxomethyl]amino]-6-[[(4-iodophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-(carboxymethylcarbamoylamino)-6-[(4-iodobenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-(carboxymethylcarbamoylamino)-6-[(4-iodobenzoyl)amino]hexanoic acid Formula: C16H20IN3O6 MolecularWeight: 477.25097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NCC(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NCC(=O)O)I

InChI

InChI=1S/C16H20IN3O6/c17-11-6-4-10(5-7-11)14(23)18-8-2-1-3-12(15(24)25)20-16(26)19-9-13(21)22/h4-7,12H,1-3,8-9H2,(H,18,23)(H,21,22)(H,24,25)(H2,19,20,26)/t12-/m0/s1