dimethyl-[[2-(3-methylsulfanylpropanoylamino)-2-(phenylmethyl)butanoyl]amino]-(2-oxidanyl-2-phenyl-ethyl)azanium

Systemtic Name: dimethyl-[[2-(3-methylsulfanylpropanoylamino)-2-(phenylmethyl)butanoyl]amino]-(2-oxidanyl-2-phenyl-ethyl)azanium Openeye Name: [[2-benzyl-2-(3-methylsulfanylpropanoylamino)butanoyl]amino]-(2-hydroxy-2-phenyl-ethyl)-dimethyl-ammonium CAS Name: (2-hydroxy-2-phenylethyl)-dimethyl-[[2-[[3-(methylthio)-1-oxopropyl]amino]-1-oxo-2-(phenylmethyl)butyl]amino]ammonium IUPAC Name: [[2-benzyl-2-(3-methylsulfanylpropanoylamino)butanoyl]amino]-(2-hydroxy-2-phenylethyl)-dimethylazanium Traditional Name: [[2-benzyl-2-[3-(methylthio)propanoylamino]butanoyl]amino]-(2-hydroxy-2-phenyl-ethyl)-dimethyl-ammonium Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C(=O)N[N+](C)(C)CC(C2=CC=CC=C2)O)NC(=O)CCSC

Isomeric SMILES

CCC(CC1=CC=CC=C1)(C(=O)N[N+](C)(C)CC(C2=CC=CC=C2)O)NC(=O)CCSC

InChI

InChI=1S/C25H35N3O3S/c1-5-25(26-23(30)16-17-32-4,18-20-12-8-6-9-13-20)24(31)27-28(2,3)19-22(29)21-14-10-7-11-15-21/h6-15,22,29H,5,16-19H2,1-4H3,(H-,26,27,30,31)/p+1