| CAS Number | 26787-76-8 |
| Catalog Number | AG00BGAM(AGN-PC-0R2QAS) |
| Chemical Name | (αS)-4-Hydroxy-α-[[(phenylmethoxy)carbonyl]amino]benzeneacetic acid |
| IUPAC Name | (2S)-2-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid |
| InChI | InChI=1S/C16H15NO5/c18-13-8-6-12(7-9-13)14(15(19)20)17-16(21)22-10-11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,21)(H,19,20)/t14-/m0/s1 |
| InChI Key | CGDQNVNWDDEJPY-AWEZNQCLSA-N |
| MDL Number | MFCD09756649 |
| Molecular Formula | C16H15NO5 |
| Molecular Weight | 301.2940 |
| SMILES | OC([C@H](C1=CC=C(O)C=C1)NC(OCC1=CC=CC=C1)=O)=O |
| Synonyms | 26787-76-8,
N-Cbz-S-4-Hydroxyphenylglycine,
AC1LTSXL,
SCHEMBL17765000,
CGDQNVNWDDEJPY-AWEZNQCLSA-N,
ZINC1435891,
FT-0698132,
(2S)-{[(Benzyloxy)carbonyl]amino}(4-hydroxyphenyl)acetic acid,
(2S)-2-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid,
ACN-033970,
(R)-(N-Benzyloxycarbonyl)-p-hydroxyphenylglycine,
(alphaS)-4-Hydroxy-alpha-[[(phenylmethoxy)carbonyl]amino]benzeneacetic acid,
26787-75-7,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.298g/mol |
| Monoisotopic Mass | 301.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number