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CAS Number: 186689-03-2
(S)-2-((tert-butoxycarbonyl)amino)-3-(3-formyl-4-hydroxyphenyl)propanoic acid

Structure

(S)-2-((tert-butoxycarbonyl)amino)-3-(3-formyl-4-hydroxyphenyl)propanoic acid
Name: (S)-2-((tert-butoxycarbonyl)amino)-3-(3-formyl-4-hydroxyphenyl)propanoic acid
Synonyms:
General Information
Product Number: 186689032
CAS Registry Number: 186689-03-2
Name:
        L-​Tyrosine, N-​[(1,​1-​dimethylethoxy)​carbonyl]​-​3-​formyl-
        (2S)​-​2-​(tert-​Butoxycarbonylamino)​-​3-​(3-​formyl-​4-​hydroxyphenyl)​propanoic acid 
 
Chemical Formula: C15H19NO6
Exact Mass: 309.12
Molecular Weight: 309.31
m/z: 309.12 (100.0%), 310.12 (16.6%), 311.13 (2.5%)
Elemental Analysis: C, 58.25; H, 6.19; N, 4.53; O, 31.04
 
InChI: InChI=1S/C15H19NO6/c1-15(2,3)22-14(21)16-11(13(19)20)7-9-4-5-12(18)10(6-9)8-17/h4-6,8,11,18H,7H2,1-3H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKey: DCYKYFMFAFQHSE-NSHDSACASA-N
Canonical SMILES : CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)C=O)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)C=O)C(=O)O

Specification

98%

References
  1. (1) Kalesh, Karunakaran A.; Chemical Communications (Cambridge, United Kingdom) 2010, V46(4), P589-591 CAPLUS
  2. (2) Jung, Michael E.; Journal of Organic Chemistry 1997, V62(5), P1553-1555 CAPLUS
  3. (3) Song, Yan-Li; Organic & Biomolecular Chemistry 2006, V4(4), P659-666 CAPLUS
  4. (4) Song, Yan-Li; Journal of Medicinal Chemistry 2006, V49(5), P1585-1596 CAPLUS
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