tert-butyl (2S,3R)-2-[(4-aminocarbonyl-3-iodanyl-phenyl)carbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate

Systemtic Name: tert-butyl (2S,3R)-2-[(4-aminocarbonyl-3-iodanyl-phenyl)carbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate Openeye Name: tert-butyl (2S,3R)-3-tert-butoxy-2-[(4-carbamoyl-3-iodo-benzoyl)amino]butanoate CAS Name: (2S,3R)-2-[[(4-carbamoyl-3-iodophenyl)-oxomethyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[(4-carbamoyl-3-iodobenzoyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoate Traditional Name: (2S,3R)-3-tert-butoxy-2-[(4-carbamoyl-3-iodo-benzoyl)amino]butyric acid tert-butyl ester Formula: C20H29IN2O5 MolecularWeight: 504.35913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(C)(C)C)NC(=O)C1=CC(=C(C=C1)C(=O)N)I)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H29IN2O5/c1-11(27-19(2,3)4)15(18(26)28-20(5,6)7)23-17(25)12-8-9-13(16(22)24)14(21)10-12/h8-11,15H,1-7H3,(H2,22,24)(H,23,25)/t11-,15+/m1/s1