(3S,4S)-3-[(2-iodanylphenyl)carbamoyl]-4-phenyl-pentanoate

Systemtic Name: (3S,4S)-3-[(2-iodanylphenyl)carbamoyl]-4-phenyl-pentanoate Openeye Name: (3S,4S)-3-[(2-iodophenyl)carbamoyl]-4-phenyl-pentanoate CAS Name: (3S,4S)-3-[(2-iodoanilino)-oxomethyl]-4-phenylpentanoate IUPAC Name: (3S,4S)-3-[(2-iodophenyl)carbamoyl]-4-phenylpentanoate Traditional Name: (3S,4S)-3-[(2-iodophenyl)carbamoyl]-4-phenyl-valerate Formula: C18H17INO3- MolecularWeight: 422.23695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CC(=O)[O-])C(=O)NC2=CC=CC=C2I

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[C@H](CC(=O)[O-])C(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C18H18INO3/c1-12(13-7-3-2-4-8-13)14(11-17(21)22)18(23)20-16-10-6-5-9-15(16)19/h2-10,12,14H,11H2,1H3,(H,20,23)(H,21,22)/p-1/t12-,14+/m1/s1