4-[[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]methyl]cyclohexanecarboxylate Formula: C14H26N2O3 MolecularWeight: 270.36784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1CCC(CC1)C(=O)[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H26N2O3/c1-3-9(2)12(15)13(17)16-8-10-4-6-11(7-5-10)14(18)19/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,10?,11?,12-/m0/s1