5-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanyl-hexanoate

Systemtic Name: 5-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanyl-hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-oxo-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanyl-hexanoate CAS Name: 5-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-6-[(1,3,4,5-tetramethyl-2-imidazol-1-iumyl)thio]hexanoate IUPAC Name: 5-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-(1,3,4,5-tetramethylimidazol-1-ium-2-yl)sulfanylhexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-keto-6-[(1,3,4,5-tetramethylimidazol-1-ium-2-yl)thio]hexanoate Formula: C30H36N4O6S MolecularWeight: 580.69504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1C)SCC(=O)CCC(C(=O)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C([N+](=C(N1C)SCC(=O)CCC(C(=O)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C)C

InChI

InChI=1S/C30H36N4O6S/c1-20-21(2)34(4)30(33(20)3)41-19-24(35)15-16-25(28(37)38)31-27(36)26(17-22-11-7-5-8-12-22)32-29(39)40-18-23-13-9-6-10-14-23/h5-14,25-26H,15-19H2,1-4H3,(H2-,31,32,36,37,38,39)