(2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-pyrrolidin-1-ium-3-yl]-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-pyrrolidin-1-ium-3-yl]-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-pyrrolidin-1-ium-3-yl]-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetate CAS Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-pyrrolidin-1-iumyl]-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetate IUPAC Name: (2S)-2-[[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]amino]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl-[(3R)-1-methyl-1-piperonyl-pyrrolidin-1-ium-3-yl]amino]propionamide; 2,2,2-trifluoroacetate Formula: C34H35F3N6O8 MolecularWeight: 712.67231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)NC(=O)N(C3CC[N+](C3)(C)CC4=CC5=C(C=C4)OCO5)C(CC6=CC=C(C=C6)O)C(=O)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)NC(=O)N([C@@H]3CC[N+](C3)(C)CC4=CC5=C(C=C4)OCO5)[C@@H](CC6=CC=C(C=C6)O)C(=O)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C32H34N6O6.C2HF3O2/c1-20-34-31(36-44-20)23-6-8-24(9-7-23)35-32(41)37(27(30(33)40)15-21-3-10-26(39)11-4-21)25-13-14-38(2,18-25)17-22-5-12-28-29(16-22)43-19-42-28;3-2(4,5)1(6)7/h3-12,16,25,27H,13-15,17-19H2,1-2H3,(H3-,33,35,36,39,40,41);(H,6,7)/t25-,27+,38?;/m1./s1