methyl (2R)-2-[2-acetamidoethanoyl(methyl)amino]-3-(3-iodanyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl (2R)-2-[2-acetamidoethanoyl(methyl)amino]-3-(3-iodanyl-4-oxidanyl-phenyl)propanoate Openeye Name: methyl (2R)-2-[(2-acetamidoacetyl)-methyl-amino]-3-(4-hydroxy-3-iodo-phenyl)propanoate CAS Name: (2R)-2-[(2-acetamido-1-oxoethyl)-methylamino]-3-(4-hydroxy-3-iodophenyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-acetamidoacetyl)-methylamino]-3-(4-hydroxy-3-iodophenyl)propanoate Traditional Name: (2R)-2-[(2-acetamidoacetyl)-methyl-amino]-3-(4-hydroxy-3-iodo-phenyl)propionic acid methyl ester Formula: C15H19IN2O5 MolecularWeight: 434.22623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)N(C)C(CC1=CC(=C(C=C1)O)I)C(=O)OC

Isomeric SMILES

CC(=O)NCC(=O)N(C)[C@H](CC1=CC(=C(C=C1)O)I)C(=O)OC

InChI

InChI=1S/C15H19IN2O5/c1-9(19)17-8-14(21)18(2)12(15(22)23-3)7-10-4-5-13(20)11(16)6-10/h4-6,12,20H,7-8H2,1-3H3,(H,17,19)/t12-/m1/s1