(2S)-5-azanyl-2-[(3-iodanyl-4-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[(3-iodanyl-4-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-(4-hydroxy-3-iodo-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-(4-hydroxy-3-iodoanilino)-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-(4-hydroxy-3-iodoanilino)-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-(4-hydroxy-3-iodo-anilino)-5-keto-valeric acid Formula: C11H13IN2O4 MolecularWeight: 364.13639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(CCC(=O)N)C(=O)O)I)O

Isomeric SMILES

C1=CC(=C(C=C1N[C@@H](CCC(=O)N)C(=O)O)I)O

InChI

InChI=1S/C11H13IN2O4/c12-7-5-6(1-3-9(7)15)14-8(11(17)18)2-4-10(13)16/h1,3,5,8,14-15H,2,4H2,(H2,13,16)(H,17,18)/t8-/m0/s1