(2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-[(3-iodanylphenyl)methyl]-3-oxidanyl-propanamide

Systemtic Name: (2S)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-[(3-iodanylphenyl)methyl]-3-oxidanyl-propanamide Openeye Name: (2S)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-[(3-iodophenyl)methyl]propanamide CAS Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-N-[(3-iodophenyl)methyl]propanamide IUPAC Name: (2S)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-[(3-iodophenyl)methyl]propanamide Traditional Name: (2S)-3-hydroxy-2-[[3-(1H-indol-3-yl)acryloyl]amino]-N-(3-iodobenzyl)propionamide Formula: C21H20IN3O3 MolecularWeight: 489.30627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=CC(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C=CC(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C21H20IN3O3/c22-16-5-3-4-14(10-16)11-24-21(28)19(13-26)25-20(27)9-8-15-12-23-18-7-2-1-6-17(15)18/h1-10,12,19,23,26H,11,13H2,(H,24,28)(H,25,27)/t19-/m0/s1