6-diethylsulfonio-5-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate

Systemtic Name: 6-diethylsulfonio-5-oxidanylidene-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-diethylsulfonio-5-oxo-hexanoate CAS Name: 6-diethylsulfonio-5-oxo-2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]hexanoate IUPAC Name: 6-diethylsulfonio-5-oxo-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-diethylsulfonio-5-keto-hexanoate Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+](CC)CC(=O)CCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[S+](CC)CC(=O)CCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H34N2O6S/c1-3-36(4-2)19-22(30)15-16-23(26(32)33)28-25(31)24(17-20-11-7-5-8-12-20)29-27(34)35-18-21-13-9-6-10-14-21/h5-14,23-24H,3-4,15-19H2,1-2H3,(H2-,28,29,31,32,33,34)