ethyl (3R)-3-[[2-[2-bromanylethanoyl(methyl)amino]-5-iodanyl-phenyl]carbonylamino]butanoate

Systemtic Name: ethyl (3R)-3-[[2-[2-bromanylethanoyl(methyl)amino]-5-iodanyl-phenyl]carbonylamino]butanoate Openeye Name: ethyl (3R)-3-[[2-[(2-bromoacetyl)-methyl-amino]-5-iodo-benzoyl]amino]butanoate CAS Name: (3R)-3-[[[2-[(2-bromo-1-oxoethyl)-methylamino]-5-iodophenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[[2-[(2-bromoacetyl)-methylamino]-5-iodobenzoyl]amino]butanoate Traditional Name: (3R)-3-[[2-[(2-bromoacetyl)-methyl-amino]-5-iodo-benzoyl]amino]butyric acid ethyl ester Formula: C16H20BrIN2O4 MolecularWeight: 511.14947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=C(C=CC(=C1)I)N(C)C(=O)CBr

Isomeric SMILES

CCOC(=O)C[C@@H](C)NC(=O)C1=C(C=CC(=C1)I)N(C)C(=O)CBr

InChI

InChI=1S/C16H20BrIN2O4/c1-4-24-15(22)7-10(2)19-16(23)12-8-11(18)5-6-13(12)20(3)14(21)9-17/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,23)/t10-/m1/s1