(2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(3-fluorophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(3-fluorophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(3-fluorobenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(3-fluorobenzoyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C27H39FN5O4+ MolecularWeight: 516.628063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2CN(CCN2C(=O)C3CC[NH2+]CC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H38FN5O4/c28-21-8-4-7-20(16-21)26(36)32-13-14-33(27(37)19-9-11-30-12-10-19)23(17-32)25(35)31-22(24(29)34)15-18-5-2-1-3-6-18/h4,7-8,16,18-19,22-23,30H,1-3,5-6,9-15,17H2,(H2,29,34)(H,31,35)/p+1/t22-,23+/m0/s1