diethyl (2S)-2-[(4-azanyl-3-iodanyl-phenyl)carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[(4-azanyl-3-iodanyl-phenyl)carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[(4-amino-3-iodo-benzoyl)amino]pentanedioate CAS Name: (2S)-2-[[(4-amino-3-iodophenyl)-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[(4-amino-3-iodobenzoyl)amino]pentanedioate Traditional Name: (2S)-2-[(4-amino-3-iodo-benzoyl)amino]glutaric acid diethyl ester Formula: C16H21IN2O5 MolecularWeight: 448.25281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=C(C=C1)N)I

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC(=C(C=C1)N)I

InChI

InChI=1S/C16H21IN2O5/c1-3-23-14(20)8-7-13(16(22)24-4-2)19-15(21)10-5-6-12(18)11(17)9-10/h5-6,9,13H,3-4,7-8,18H2,1-2H3,(H,19,21)/t13-/m0/s1