ethyl (3S,4S,5S)-3-acetamido-4-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexene-1-carboxylate

Systemtic Name: ethyl (3S,4S,5S)-3-acetamido-4-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexene-1-carboxylate Openeye Name: ethyl (3S,4S,5S)-3-acetamido-4-bromo-5-(tert-butoxycarbonylamino)cyclohexene-1-carboxylate CAS Name: (3S,4S,5S)-3-acetamido-4-bromo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S,5S)-3-acetamido-4-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexene-1-carboxylate Traditional Name: (3S,4S,5S)-3-acetamido-4-bromo-5-(tert-butoxycarbonylamino)cyclohexene-1-carboxylic acid ethyl ester Formula: C16H25BrN2O5 MolecularWeight: 405.2841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25BrN2O5/c1-6-23-14(21)10-7-11(18-9(2)20)13(17)12(8-10)19-15(22)24-16(3,4)5/h7,11-13H,6,8H2,1-5H3,(H,18,20)(H,19,22)/t11-,12-,13+/m0/s1