(2S)-2-(2,2-diphenylethanoylamino)-N-[(3-iodanylphenyl)methyl]-3-oxidanyl-propanamide

Systemtic Name: (2S)-2-(2,2-diphenylethanoylamino)-N-[(3-iodanylphenyl)methyl]-3-oxidanyl-propanamide Openeye Name: (2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxy-N-[(3-iodophenyl)methyl]propanamide CAS Name: (2S)-3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: (2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxy-N-[(3-iodophenyl)methyl]propanamide Traditional Name: (2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxy-N-(3-iodobenzyl)propionamide Formula: C24H23IN2O3 MolecularWeight: 514.35549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C24H23IN2O3/c25-20-13-7-8-17(14-20)15-26-23(29)21(16-28)27-24(30)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21-22,28H,15-16H2,(H,26,29)(H,27,30)/t21-/m0/s1