2-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxidanyl-ethanamide

Systemtic Name: 2-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-oxidanyl-ethanamide Openeye Name: 2-[1-(2-amino-3-phenyl-propanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-hydroxy-acetamide CAS Name: 2-[1-(2-amino-1-oxo-3-phenylpropyl)-1-pyrrolidin-1-iumyl]-N-cyclohexyl-2-hydroxyacetamide IUPAC Name: 2-[1-(2-amino-3-phenylpropanoyl)pyrrolidin-1-ium-1-yl]-N-cyclohexyl-2-hydroxyacetamide Traditional Name: N-cyclohexyl-2-hydroxy-2-(1-phenylalanylpyrrolidin-1-ium-1-yl)acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)N)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)N)O

InChI

InChI=1S/C21H31N3O3/c22-18(15-16-9-3-1-4-10-16)20(26)24(13-7-8-14-24)21(27)19(25)23-17-11-5-2-6-12-17/h1,3-4,9-10,17-18,21,27H,2,5-8,11-15,22H2/p+1