(2S)-N-[(3-iodanylphenyl)methyl]-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-[(3-iodanylphenyl)methyl]-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-3-hydroxy-N-[(3-iodophenyl)methyl]-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanamide CAS Name: (2S)-3-hydroxy-N-[(3-iodophenyl)methyl]-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-3-hydroxy-N-[(3-iodophenyl)methyl]-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanamide Traditional Name: (2S)-3-hydroxy-N-(3-iodobenzyl)-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propionamide Formula: C22H21IN2O6 MolecularWeight: 536.31641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C22H21IN2O6/c1-13-7-21(28)31-19-9-16(5-6-17(13)19)30-12-20(27)25-18(11-26)22(29)24-10-14-3-2-4-15(23)8-14/h2-9,18,26H,10-12H2,1H3,(H,24,29)(H,25,27)/t18-/m0/s1