dimethyl-[6-oxidanyl-2,6-bis(oxidanylidene)-5-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]hexyl]sulfanium

Systemtic Name: dimethyl-[6-oxidanyl-2,6-bis(oxidanylidene)-5-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]hexyl]sulfanium Openeye Name: [5-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-6-hydroxy-2,6-dioxo-hexyl]-dimethyl-sulfonium CAS Name: [6-hydroxy-2,6-dioxo-5-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]hexyl]-dimethylsulfonium IUPAC Name: [6-hydroxy-2,6-dioxo-5-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]hexyl]-dimethylsulfanium Traditional Name: [5-[(1-carbobenzoxyprolyl)amino]-6-hydroxy-2,6-diketo-hexyl]-dimethyl-sulfonium Formula: C21H29N2O6S+ MolecularWeight: 437.52976

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC(=O)CCC(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[S+](C)CC(=O)CCC(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O6S/c1-30(2)14-16(24)10-11-17(20(26)27)22-19(25)18-9-6-12-23(18)21(28)29-13-15-7-4-3-5-8-15/h3-5,7-8,17-18H,6,9-14H2,1-2H3,(H-,22,25,26,27)/p+1