(2S)-1-[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[1-[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-[(2S)-2-ammonio-4-(methylthio)butanoyl]isonipecotoyl]pyrrolidine-2-carboxylate Formula: C16H27N3O4S MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)C(=O)N2CCCC2C(=O)[O-])[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N2CCC[C@H]2C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H27N3O4S/c1-24-10-6-12(17)15(21)18-8-4-11(5-9-18)14(20)19-7-2-3-13(19)16(22)23/h11-13H,2-10,17H2,1H3,(H,22,23)/t12-,13-/m0/s1