AG00BYAS

40298-71-3 | Boc-Tyr(2,6-DI-CL-Bzl)-OH

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CAS Number	40298-71-3
Catalog Number	AG00BYAS(AGN-PC-0RMTNM)
Chemical Name	Boc-Tyr(2,6-DI-CL-Bzl)-OH
EC Number	254-876-6
IUPAC Name	(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C21H23Cl2NO5/c1-21(2,3)29-20(27)24-18(19(25)26)11-13-7-9-14(10-8-13)28-12-15-16(22)5-4-6-17(15)23/h4-10,18H,11-12H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1
InChI Key	DODHIGHXRDNRPP-SFHVURJKSA-N
MDL Number	MFCD00065895
Molecular Formula	C21H23Cl2NO5
Molecular Weight	440.3170
SMILES	O=C(O)[C@H](CC1=CC=C(OCC2=C(Cl)C=CC=C2Cl)C=C1)NC(OC(C)(C)C)=O
Synonyms	40298-71-3, BOC-TYR(2,6-DI-CL-BZL)-OH, Boc-L-Tyr(2,6-cl2bzl)-OH, Boc-Tyr(2,6-Cl2-Bzl)-OH, Boc-Tyr(2,6-dichloro-Bzl)-OH, Boc-O-(2,6-dichlorobenzyl)-L-tyrosine, C21H23Cl2NO5, O-[(2, 6-Dichlorophenyl)methyl]-N-[(1, 1-dimethylethoxy)carbonyl]-L-tyrosine, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[(2,6-dichlorophenyl)methoxy]phenyl}propanoic acid, AC1Q1MS0, boc-tyr(2,6-cl2bzl)-oh, SCHEMBL1309887, CTK1D6626, DODHIGHXRDNRPP-SFHVURJKSA-N, ZINC2539566, 6458AH, MFCD00065895, AKOS027340151, ACM40298713, FT-0639634, K-8615, Boc-O-[(2,6-dichlorophenyl)methyl]-L-tyrosine, C-25051, Boc-Tyr(2,6-Cl2-Bzl)-OH, >=97.0% (TLC), N-tert-butoxycarbonyl-O-(2,6-dichlorobenzyl)-L-tyrosine, N-(tert-Butoxycarbonyl)-O-(2,6-dichlorobenzyl)-L-tyrosine, N-alpha-t-Butyloxycarbonyl-O-(2,6-dichlorobenzyl)-L-tyrosine, (S)-2-(tert-butoxycarbonylamino)-3-(4-(2,6-dichlorobenzyloxy)phenyl)propanoic acid, Tyrosine, O-[(2,6-dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-, BOC-TYR -OH, C21-H23-Cl2-N-O5, EINECS 254-876-6, NSC334369, NSC 334369, CID11133964, O-2,6-Dichlorobenzyl-N-tert-butoxycarbonyl-L-tyrosine, N-[(tert-butoxy)carbonyl]-O-[(2,6-dichlorophenyl)methyl]-L-tyrosine, L-Tyrosine, O-((2,6-dichlorophenyl)methyl)-N-((1,1-dimethylethoxy)carbonyl)-, L-Tyrosine, O-[(2,6-dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-, O-((2,6-Dichlorophenyl)methyl)-N-((1,1-dimethylethoxy)carbonyl)-L-tyrosine, 201334-88-5, 69541-62-4,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	439.095g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	440.317g/mol
Monoisotopic Mass	439.095g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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