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

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-3-methyl-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methylbutanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-3-methyl-butanoyl]isonipecotoyl]amino]-3-methyl-butyrate Formula: C16H29N3O4 MolecularWeight: 327.41916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O4/c1-9(2)12(17)15(21)19-7-5-11(6-8-19)14(20)18-13(10(3)4)16(22)23/h9-13H,5-8,17H2,1-4H3,(H,18,20)(H,22,23)/t12-,13-/m0/s1