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

Systemtic Name: 4-[[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidin-4-yl]carbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[1-[(2S)-2-azaniumyl-4-methyl-pentanoyl]piperidine-4-carbonyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[1-[(2S)-2-ammonio-4-methyl-1-oxopentyl]-4-piperidinyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[1-[(2S)-2-azaniumyl-4-methylpentanoyl]piperidine-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[1-[(2S)-2-ammonio-4-methyl-pentanoyl]isonipecotoyl]amino]methyl]cyclohexanecarboxylate Formula: C20H35N3O4 MolecularWeight: 381.5096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O4/c1-13(2)11-17(21)19(25)23-9-7-15(8-10-23)18(24)22-12-14-3-5-16(6-4-14)20(26)27/h13-17H,3-12,21H2,1-2H3,(H,22,24)(H,26,27)/t14?,16?,17-/m0/s1