(2S)-6-[(4-iodophenyl)carbonylamino]-2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoylamino]hexanoic acid

Systemtic Name: (2S)-6-[(4-iodophenyl)carbonylamino]-2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoylamino]hexanoic acid Openeye Name: (2S)-2-[(4-hydroxy-4-oxo-butyl)carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid CAS Name: (2S)-2-[[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]amino]-6-[[(4-iodophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(4-hydroxy-4-oxobutyl)carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid Traditional Name: (2S)-2-[(4-hydroxy-4-keto-butyl)carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid Formula: C18H24IN3O6 MolecularWeight: 505.30413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NCCCC(=O)O)I

Isomeric SMILES

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

InChI

InChI=1S/C18H24IN3O6/c19-13-8-6-12(7-9-13)16(25)20-10-2-1-4-14(17(26)27)22-18(28)21-11-3-5-15(23)24/h6-9,14H,1-5,10-11H2,(H,20,25)(H,23,24)(H,26,27)(H2,21,22,28)/t14-/m0/s1