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

Systemtic Name: ethyl-methyl-[[2-(3-methylsulfanylpropanoylamino)-2-(phenylmethyl)butanoyl]amino]-phenyl-azanium Openeye Name: [[2-benzyl-2-(3-methylsulfanylpropanoylamino)butanoyl]amino]-ethyl-methyl-phenyl-ammonium CAS Name: ethyl-methyl-[[2-[[3-(methylthio)-1-oxopropyl]amino]-1-oxo-2-(phenylmethyl)butyl]amino]-phenylammonium IUPAC Name: [[2-benzyl-2-(3-methylsulfanylpropanoylamino)butanoyl]amino]-ethyl-methyl-phenylazanium Traditional Name: [[2-benzyl-2-[3-(methylthio)propanoylamino]butanoyl]amino]-ethyl-methyl-phenyl-ammonium Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2S/c1-5-24(25-22(28)17-18-30-4,19-20-13-9-7-10-14-20)23(29)26-27(3,6-2)21-15-11-8-12-16-21/h7-16H,5-6,17-19H2,1-4H3,(H-,25,26,28,29)/p+1