(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(quinazolin-4-yl)propanoic acid - CAS 1306728-59-5
Catalog: |
BB007150 |
Product Name: |
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(quinazolin-4-yl)propanoic acid |
CAS: |
1306728-59-5 |
Synonyms: |
2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-quinazolinyl)propanoic acid; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinazolin-4-ylpropanoic acid |
IUPAC Name: | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinazolin-4-ylpropanoic acid |
Description: | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(quinazolin-4-yl)propanoic acid (CAS# 1306728-59-5 ) is a useful research chemical. |
Molecular Weight: | 317.345 |
Molecular Formula: | C16H19N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=NC=NC2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)19-13(14(20)21)8-12-10-6-4-5-7-11(10)17-9-18-12/h4-7,9,13H,8H2,1-3H3,(H,19,22)(H,20,21) |
InChI Key: | WPVIALZDLJCBGU-UHFFFAOYSA-N |
Complexity: | 436 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.1375561 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.1375561 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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