(2S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-4-(methylthio)butanoyl]isonipecotoyl]amino]propionate Formula: C14H25N3O4S MolecularWeight: 331.431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C14H25N3O4S/c1-9(14(20)21)16-12(18)10-3-6-17(7-4-10)13(19)11(15)5-8-22-2/h9-11H,3-8,15H2,1-2H3,(H,16,18)(H,20,21)/t9-,11-/m0/s1