3-(2-azanylpropanoylamino)-5-(hydroxymethyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-azanylpropanoylamino)-5-(hydroxymethyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(2-aminopropanoylamino)-5-(hydroxymethyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-[(2-amino-1-oxopropyl)amino]-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid IUPAC Name: 3-(2-aminopropanoylamino)-5-(hydroxymethyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-(alanylamino)-2,4,6-triiodo-5-methylol-benzoic acid Formula: C11H11I3N2O4 MolecularWeight: 615.92945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=C(C(=C1I)CO)I)C(=O)O)I)N

Isomeric SMILES

CC(C(=O)NC1=C(C(=C(C(=C1I)CO)I)C(=O)O)I)N

InChI

InChI=1S/C11H11I3N2O4/c1-3(15)10(18)16-9-7(13)4(2-17)6(12)5(8(9)14)11(19)20/h3,17H,2,15H2,1H3,(H,16,18)(H,19,20)