N-Boc-5-hydroxytryptophan Methyl Ester - CAS 203736-17-8
Catalog: |
BB072439 |
Product Name: |
N-Boc-5-hydroxytryptophan Methyl Ester |
CAS: |
203736-17-8 |
Synonyms: |
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(5-hydroxy-1H-indol-3-yl)propanoate; Methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; n-boc-5-hydroxytryptophan methyl ester; (2S)-2-tert-Butoxycarbonylamino-3-(5-hydroxy-1H-indol-3-yl)-propionic Acid Methyl Ester |
IUPAC Name: | methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
Molecular Weight: | 334.37 |
Molecular Formula: | C17H22N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)O)C(=O)OC |
InChI: | InChI=1S/C17H22N2O5/c1-17(2,3)24-16(22)19-14(15(21)23-4)7-10-9-18-13-6-5-11(20)8-12(10)13/h5-6,8-9,14,18,20H,7H2,1-4H3,(H,19,22)/t14-/m0/s1 |
InChI Key: | XNPXNIXOCSKSGI-AWEZNQCLSA-N |
References: | Choi, J., et al. J. Med. Chem., 56, 7651 (2013); Li, R., et al. Appl. Radiation Isotoes, 68, 303 (2009). |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.15287181 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.15287181 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 101Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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