(2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-1-oxopropyl]-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammoniopropanoyl]isonipecotoyl]amino]-4-(methylthio)butyrate Formula: C14H25N3O4S MolecularWeight: 331.431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)NC(CCSC)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)[O-])[NH3+]

InChI

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