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

Systemtic Name: 4-[[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidine-4-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[1-[(2S)-2-ammonio-3-methyl-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[1-[(2S)-2-azaniumyl-3-methylbutanoyl]piperidine-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[1-[(2S)-2-ammonio-3-methyl-butanoyl]isonipecotoyl]amino]methyl]cyclohexanecarboxylate Formula: C19H33N3O4 MolecularWeight: 367.48302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)NCC2CCC(CC2)C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)NCC2CCC(CC2)C(=O)[O-])[NH3+]

InChI

InChI=1S/C19H33N3O4/c1-12(2)16(20)18(24)22-9-7-14(8-10-22)17(23)21-11-13-3-5-15(6-4-13)19(25)26/h12-16H,3-11,20H2,1-2H3,(H,21,23)(H,25,26)/t13?,15?,16-/m0/s1