4-[[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-[(3R)-1-[(4-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-3-yl]carbamoyl]amino]-N-propan-2-yl-benzamide; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-[[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-[(3R)-1-[(4-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-3-yl]carbamoyl]amino]-N-propan-2-yl-benzamide; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-[[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-[(3R)-1-[(4-fluorophenyl)methyl]-1-methyl-pyrrolidin-1-ium-3-yl]carbamoyl]amino]-N-isopropyl-benzamide; 2,2,2-trifluoroacetate CAS Name: 4-[[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-[(3R)-1-[(4-fluorophenyl)methyl]-1-methyl-3-pyrrolidin-1-iumyl]amino]-oxomethyl]amino]-N-propan-2-ylbenzamide; 2,2,2-trifluoroacetate IUPAC Name: 4-[[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-[(3R)-1-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium-3-yl]carbamoyl]amino]-N-propan-2-ylbenzamide; 2,2,2-trifluoroacetate Traditional Name: 4-[[[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-[(3R)-1-(4-fluorobenzyl)-1-methyl-pyrrolidin-1-ium-3-yl]carbamoyl]amino]-N-isopropyl-benzamide; 2,2,2-trifluoroacetate Formula: C34H39F4N5O6 MolecularWeight: 689.696973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)N(C2CC[N+](C2)(C)CC3=CC=C(C=C3)F)C(CC4=CC=C(C=C4)O)C(=O)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)N([C@@H]2CC[N+](C2)(C)CC3=CC=C(C=C3)F)[C@@H](CC4=CC=C(C=C4)O)C(=O)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C32H38FN5O4.C2HF3O2/c1-21(2)35-31(41)24-8-12-26(13-9-24)36-32(42)37(29(30(34)40)18-22-6-14-28(39)15-7-22)27-16-17-38(3,20-27)19-23-4-10-25(33)11-5-23;3-2(4,5)1(6)7/h4-15,21,27,29H,16-20H2,1-3H3,(H4-,34,35,36,39,40,41,42);(H,6,7)/t27-,29+,38?;/m1./s1