| CAS Number | 1175919-93-3 |
| Catalog Number | AG00HE0F(AGN-PC-0WBOBC) |
| Chemical Name | Boc-l-m-tyrosine(oallyl) |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-prop-2-enoxyphenyl)propanoic acid |
| InChI | InChI=1S/C17H23NO5/c1-5-9-22-13-8-6-7-12(10-13)11-14(15(19)20)18-16(21)23-17(2,3)4/h5-8,10,14H,1,9,11H2,2-4H3,(H,18,21)(H,19,20)/t14-/m0/s1 |
| InChI Key | LLEUDAJPBFQTRL-AWEZNQCLSA-N |
| MDL Number | MFCD08061618 |
| Molecular Formula | C17H23NO5 |
| Molecular Weight | 321.3682 |
| SMILES | O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC(OCC=C)=C1 |
| Synonyms | Boc-L-m-Tyrosine(OAllyl),
1175919-93-3,
(S)-3-(3-(Allyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid,
DTXSID40592358,
2864AA,
MFCD08061618,
ZINC12351548,
AKOS015950125,
AJ-61251,
PS-12896,
AX8245647,
K-1212,
N-(tert-Butoxycarbonyl)-3-[(prop-2-en-1-yl)oxy]-L-phenylalanine,
(2S)-3-(3-allyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoic acid,
(2S)-3-(3-allyloxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid,
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-prop-2-enoxyphenyl)propanoic acid,
(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-prop-2-enoxyphenyl)propanoic acid,
C17H23NO5,
(S)-3-(3-(Allyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoicacid,
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| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.373g/mol |
| Monoisotopic Mass | 321.158g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number