methyl (2S)-3-[(1S)-3-bromanyl-4-oxidanylidene-cyclohex-2-en-1-yl]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-[(1S)-3-bromanyl-4-oxidanylidene-cyclohex-2-en-1-yl]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate Openeye Name: methyl (2S)-3-[(1S)-3-bromo-4-oxo-cyclohex-2-en-1-yl]-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate CAS Name: (2S)-3-[(1S)-3-bromo-4-oxo-1-cyclohex-2-enyl]-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[(1S)-3-bromo-4-oxocyclohex-2-en-1-yl]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate Traditional Name: (2S)-3-[(1S)-3-bromo-4-keto-cyclohex-2-en-1-yl]-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]amino]propionic acid methyl ester Formula: C18H27BrN2O6 MolecularWeight: 447.32078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1CCC(=O)C(=C1)Br)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C[C@@H]1CCC(=O)C(=C1)Br)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H27BrN2O6/c1-10(20-17(25)27-18(2,3)4)15(23)21-13(16(24)26-5)9-11-6-7-14(22)12(19)8-11/h8,10-11,13H,6-7,9H2,1-5H3,(H,20,25)(H,21,23)/t10-,11+,13-/m0/s1