Registration Dossier
Registration Dossier
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EC number: 691-120-8 | CAS number: 486460-00-8
Reference substances
- IUPAC name:
- (R)-3-(tert-butoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acid
Inventory
Synonyms
- Names:
- (3R)-3-[(1,1-Dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
- (3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
- (3R)-3-[N-(tert-Butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid
- Identifier:
- other: Molecular formula
- C15H18F3NO4
- Identifier:
- other: SMILES notation
- CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)O CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1F)F)F)CC(=O)O
- Identifier:
- other: InChl
- InChI=1S/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m1/s1
Molecular and structural information
- Molecular formula:
- C15 H18 F3 N O4
- Molecular weight:
- 333.3
- SMILES notation:
- O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC(F)=C(F)C=C1F
- InChl:
- InChI=1/C15H18F3NO4/c1-15(2,3)23-14(22)19-9(6-13(20)21)4-8-5-11(17)12(18)7-10(8)16/h5,7,9H,4,6H2,1-3H3,(H,19,22)(H,20,21)/t9-/m1/s1/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-12,10-12,11-12,12-12,13-12,14-12,15-12,16-19,17-19,18-19,19-14,20-16,21-16,22-16,23-16
- Structural formula:
Related substances
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