[4-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-2-methoxycarbonyl-phenyl]methyl-dimethyl-sulfanium

Systemtic Name: [4-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-2-methoxycarbonyl-phenyl]methyl-dimethyl-sulfanium Openeye Name: [4-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-2-methoxycarbonyl-phenyl]methyl-dimethyl-sulfonium CAS Name: [4-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-methoxycarbonylphenyl]methyl-dimethylsulfonium IUPAC Name: [4-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-2-methoxycarbonylphenyl]methyl-dimethylsulfanium Traditional Name: [4-[[(2S)-1-[(2S)-2-aminopropanoyl]prolyl]amino]-2-carbomethoxy-benzyl]-dimethyl-sulfonium Formula: C19H28N3O4S+ MolecularWeight: 394.50832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC2=CC(=C(C=C2)C[S+](C)C)C(=O)OC)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC(=C(C=C2)C[S+](C)C)C(=O)OC)N

InChI

InChI=1S/C19H27N3O4S/c1-12(20)18(24)22-9-5-6-16(22)17(23)21-14-8-7-13(11-27(3)4)15(10-14)19(25)26-2/h7-8,10,12,16H,5-6,9,11,20H2,1-4H3/p+1/t12-,16-/m0/s1