2-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-dimethylsulfonio-5-oxidanylidene-hexanoate

Systemtic Name: 2-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-dimethylsulfonio-5-oxidanylidene-hexanoate Openeye Name: 2-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-6-dimethylsulfonio-5-oxo-hexanoate CAS Name: 2-[[6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-6-dimethylsulfonio-5-oxohexanoate IUPAC Name: 2-[[6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-dimethylsulfonio-5-oxohexanoate Traditional Name: 2-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-6-dimethylsulfonio-5-keto-hexanoate Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C(CCCCN)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[S+](C)CC(=O)CCC(C(=O)[O-])NC(=O)C(CCCCN)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H33N3O6S/c1-32(2)15-17(26)11-12-19(21(28)29)24-20(27)18(10-6-7-13-23)25-22(30)31-14-16-8-4-3-5-9-16/h3-5,8-9,18-19H,6-7,10-15,23H2,1-2H3,(H2-,24,25,27,28,29,30)