tert-butyl N-[(2S,3R)-1-(3-bromophenyl)-3-oxidanyl-5-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-1-(3-bromophenyl)-3-oxidanyl-5-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-[(3-bromophenyl)methyl]-2-hydroxy-4-oxo-pentyl]carbamate CAS Name: N-[(2S,3R)-1-(3-bromophenyl)-3-hydroxy-5-oxohexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-1-(3-bromophenyl)-3-hydroxy-5-oxohexan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-(3-bromobenzyl)-2-hydroxy-4-keto-pentyl]carbamic acid tert-butyl ester Formula: C17H24BrNO4 MolecularWeight: 386.28076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(CC1=CC(=CC=C1)Br)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(=O)C[C@H]([C@H](CC1=CC(=CC=C1)Br)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C17H24BrNO4/c1-11(20)8-15(21)14(19-16(22)23-17(2,3)4)10-12-6-5-7-13(18)9-12/h5-7,9,14-15,21H,8,10H2,1-4H3,(H,19,22)/t14-,15+/m0/s1