(2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-3-methyl-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methylbutanoyl]piperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-3-methyl-butanoyl]isonipecotoyl]amino]propionate Formula: C14H25N3O4 MolecularWeight: 299.366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O4/c1-8(2)11(15)13(19)17-6-4-10(5-7-17)12(18)16-9(3)14(20)21/h8-11H,4-7,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11-/m0/s1