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5-[[[(2/S)-2-Amino-3-[4-aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1/S)-1-(4-phenyl-1/H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid

CSA Names: 5-[[[(2S)-2-Amino-3-[4-aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid
Eluxadoline
CSA Location: Schedule IV Section (g) Subsection (3) DEA code 9725
CSA History: 80 FR 48044 proposed to add on 11 Aug 2015
80 FR 69861 added effective 14 Dec 2015
Names: 5-({[(2S)-2-Amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl][(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)-2-methoxybenzoic acid (other)
Molecular formula: C32H35N5O5
Nominal mass: 569
Average mass: 569.6508
Monoisotopic mass: 569.263819
CAS registry number:
ChemSpider: 9425062
PubChem: 11250029
Wikipedia:
Erowid:
Drugs-Forum:
Bluelight:
Standard InChI: InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1
Standard InChI key: QFNHIDANIVGXPE-FNZWTVRRSA-N
SMILES: COc1ccc(cc1C(=O)O)CN([C@H](c1[nH]cc(n1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)N
Tags: unclassified,proposed,recent
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