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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide Formula: C29H45N6O4+ MolecularWeight: 541.7054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)C(=O)C4CC[NH2+]CC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@@H](C2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N)C(=O)C4CC[NH2+]CC4

InChI

InChI=1S/C29H44N6O4/c1-33(2)23-10-8-21(9-11-23)28(38)34-16-17-35(29(39)22-12-14-31-15-13-22)25(19-34)27(37)32-24(26(30)36)18-20-6-4-3-5-7-20/h8-11,20,22,24-25,31H,3-7,12-19H2,1-2H3,(H2,30,36)(H,32,37)/p+1/t24-,25-/m0/s1