(2S,3R)-4-(3-iodanyl-4-methoxy-phenyl)-3-methyl-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S,3R)-4-(3-iodanyl-4-methoxy-phenyl)-3-methyl-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: (2S,3R)-2-(benzylamino)-4-(3-iodo-4-methoxy-phenyl)-3-methyl-4-oxo-butanoic acid CAS Name: (2S,3R)-4-(3-iodo-4-methoxyphenyl)-3-methyl-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: (2S,3R)-2-(benzylamino)-4-(3-iodo-4-methoxyphenyl)-3-methyl-4-oxobutanoic acid Traditional Name: (2S,3R)-2-(benzylamino)-4-(3-iodo-4-methoxy-phenyl)-4-keto-3-methyl-butyric acid Formula: C19H20INO4 MolecularWeight: 453.27087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NCC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NCC1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C19H20INO4/c1-12(18(22)14-8-9-16(25-2)15(20)10-14)17(19(23)24)21-11-13-6-4-3-5-7-13/h3-10,12,17,21H,11H2,1-2H3,(H,23,24)/t12-,17+/m1/s1