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

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(cyclohexanecarbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-[cyclohexyl(oxo)methyl]-4-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(cyclohexanecarbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-(cyclohexanecarbonyl)-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C27H46N5O4+ MolecularWeight: 504.68524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3CCCCC3)C(=O)C4CC[NH2+]CC4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2CN(CCN2C(=O)C3CCCCC3)C(=O)C4CC[NH2+]CC4

InChI

InChI=1S/C27H45N5O4/c28-24(33)22(17-19-7-3-1-4-8-19)30-25(34)23-18-31(26(35)21-11-13-29-14-12-21)15-16-32(23)27(36)20-9-5-2-6-10-20/h19-23,29H,1-18H2,(H2,28,33)(H,30,34)/p+1/t22-,23+/m0/s1