methyl (2S)-6-azanyl-2-[[2,3,4-tris(iodanyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[2,3,4-tris(iodanyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[(2,3,4-triiodobenzoyl)amino]hexanoate CAS Name: (2S)-6-amino-2-[[oxo-(2,3,4-triiodophenyl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[(2,3,4-triiodobenzoyl)amino]hexanoate Traditional Name: (2S)-6-amino-2-[(2,3,4-triiodobenzoyl)amino]hexanoic acid methyl ester Formula: C14H17I3N2O3 MolecularWeight: 642.00979

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)C1=C(C(=C(C=C1)I)I)I

Isomeric SMILES

COC(=O)[C@H](CCCCN)NC(=O)C1=C(C(=C(C=C1)I)I)I

InChI

InChI=1S/C14H17I3N2O3/c1-22-14(21)10(4-2-3-7-18)19-13(20)8-5-6-9(15)12(17)11(8)16/h5-6,10H,2-4,7,18H2,1H3,(H,19,20)/t10-/m0/s1