(2S)-2-[[(2S)-6-[(4-iodophenyl)carbonylamino]-1-oxidanidyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-6-[(4-iodophenyl)carbonylamino]-1-oxidanidyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioate Openeye Name: (2S)-2-[[(1S)-1-carboxylato-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[[(2S)-6-[[(4-iodophenyl)-oxomethyl]amino]-1-oxido-1-oxohexan-2-yl]amino]-oxomethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-6-[(4-iodobenzoyl)amino]-1-oxido-1-oxohexan-2-yl]carbamoylamino]pentanedioate Traditional Name: (2S)-2-[[(1S)-1-carboxylato-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]glutarate Formula: C19H21IN3O8-3 MolecularWeight: 546.28981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCCC(C(=O)[O-])NC(=O)NC(CCC(=O)[O-])C(=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC[C@@H](C(=O)[O-])NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])I

InChI

InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/p-3/t13-,14-/m0/s1