ethyl (3S)-3-[[2-[2-bromanylethanoyl(tert-butyl)amino]-5-iodanyl-phenyl]carbonylamino]butanoate

Systemtic Name: ethyl (3S)-3-[[2-[2-bromanylethanoyl(tert-butyl)amino]-5-iodanyl-phenyl]carbonylamino]butanoate Openeye Name: ethyl (3S)-3-[[2-[(2-bromoacetyl)-tert-butyl-amino]-5-iodo-benzoyl]amino]butanoate CAS Name: (3S)-3-[[[2-[(2-bromo-1-oxoethyl)-tert-butylamino]-5-iodophenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-[(2-bromoacetyl)-tert-butylamino]-5-iodobenzoyl]amino]butanoate Traditional Name: (3S)-3-[[2-[(2-bromoacetyl)-tert-butyl-amino]-5-iodo-benzoyl]amino]butyric acid ethyl ester Formula: C19H26BrIN2O4 MolecularWeight: 553.22921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26BrIN2O4/c1-6-27-17(25)9-12(2)22-18(26)14-10-13(21)7-8-15(14)23(16(24)11-20)19(3,4)5/h7-8,10,12H,6,9,11H2,1-5H3,(H,22,26)/t12-/m0/s1