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CHEBI:91752 - 2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-1-oxo-3-(4-phenylphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid

ChEBI IDCHEBI:91752
ChEBI Name2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-1-oxo-3-(4-phenylphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid
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FormulaC36H35N3O4
Net Charge0
Average Mass573.693
Monoisotopic Mass573.26276
SMILESCc1cc(C)cc(C(=O)N(C)C(Cc2ccc(-c3ccccc3)cc2)C(=O)NC(Cc2cnc3ccccc23)C(=O)O)c1
InChIInChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)
InChIKeyUZDORQWMYRRLQV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-1-oxo-3-(4-phenylphenyl)propyl]amino]-3-(1H-indol-3-yl)propanoic acid (CHEBI:91752) is a phenylalanine derivative (CHEBI:25985)
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