[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-azanyl-5-iodanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-azanyl-5-iodanyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H17IN2O3 MolecularWeight: 376.19015

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)I)N

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)I)N

InChI

InChI=1S/C13H17IN2O3/c1-3-6-16-12(17)8(2)19-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8H,3,6,15H2,1-2H3,(H,16,17)/t8-/m0/s1