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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

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