(2S)-2-[[1-(2-azaniumylethanoyl)piperidin-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[1-(2-azaniumylethanoyl)piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[1-(2-azaniumylacetyl)piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[1-(2-ammonio-1-oxoethyl)-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[1-(2-azaniumylacetyl)piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[1-(2-ammonioacetyl)isonipecotoyl]amino]-3-methyl-butyrate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O4/c1-8(2)11(13(19)20)15-12(18)9-3-5-16(6-4-9)10(17)7-14/h8-9,11H,3-7,14H2,1-2H3,(H,15,18)(H,19,20)/t11-/m0/s1