5-azanyl-2-[(4-iodophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-iodophenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-iodobenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(4-iodophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-iodobenzoyl)amino]-5-keto-valeric acid Formula: C12H13IN2O4 MolecularWeight: 376.14709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)N)C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)N)C(=O)O)I

InChI

InChI=1S/C12H13IN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)