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

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-piperidin-1-ium-4-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[oxo(4-piperidin-1-iumyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(piperidin-1-ium-4-carbonyl)-1-(2-thenoyl)piperazine-2-carboxamide Formula: C25H38N5O4S+ MolecularWeight: 504.66532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4CC[NH2+]CC4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4CC[NH2+]CC4

InChI

InChI=1S/C25H37N5O4S/c26-22(31)19(15-17-5-2-1-3-6-17)28-23(32)20-16-29(24(33)18-8-10-27-11-9-18)12-13-30(20)25(34)21-7-4-14-35-21/h4,7,14,17-20,27H,1-3,5-6,8-13,15-16H2,(H2,26,31)(H,28,32)/p+1/t19-,20+/m0/s1