(2R)-N2-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-piperazin-4-ium-1,2-dicarboxamide

Systemtic Name: (2R)-N2-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-piperazin-4-ium-1,2-dicarboxamide Openeye Name: (2R)-N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-cyclohexyl-piperazin-4-ium-1,2-dicarboxamide CAS Name: (2R)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-N1-cyclohexylpiperazin-4-ium-1,2-dicarboxamide IUPAC Name: (2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-cyclohexylpiperazin-4-ium-1,2-dicarboxamide Traditional Name: (2R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-cyclohexyl-piperazin-4-ium-1,2-dicarboxamide Formula: C21H38N5O3+ MolecularWeight: 408.55812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2C[NH2+]CCN2C(=O)NC3CCCCC3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2C[NH2+]CCN2C(=O)NC3CCCCC3

InChI

InChI=1S/C21H37N5O3/c22-19(27)17(13-15-7-3-1-4-8-15)25-20(28)18-14-23-11-12-26(18)21(29)24-16-9-5-2-6-10-16/h15-18,23H,1-14H2,(H2,22,27)(H,24,29)(H,25,28)/p+1/t17-,18+/m0/s1