AG003VL4

99953-00-1 | (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

AG003VL4

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CAS Number	99953-00-1
Catalog Number	AG003VL4(AGN-PC-0WAJNE)
Chemical Name	(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid
IUPAC Name	(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C16H23NO5/c1-9-6-11(18)7-10(2)12(9)8-13(14(19)20)17-15(21)22-16(3,4)5/h6-7,13,18H,8H2,1-5H3,(H,17,21)(H,19,20)/t13-/m0/s1
InChI Key	QSKQZXRPUXGSLR-ZDUSSCGKSA-N
MDL Number	MFCD01860643
Molecular Formula	C16H23NO5
Molecular Weight	309.3575
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=C(C)C=C(O)C=C1C
Synonyms	99953-00-1, N-Boc-2,6-Dimethyl-L-tyrosine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid, (S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid, (S)-N-BOC-2,6-DIMETHYLTYROSINE, N-(tert-butoxycarbonyl)-2,6-dimethyl-L-tyrosine, J-502398, (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoic acid, Boc-2,6-dimethyl-tyrosine, Boc-L-2,6-Dimethyltyrosine, Boc-2,6-dimethyl-L-tyrosine, SCHEMBL2263756, CTK8B4897, DTXSID70545973, QSKQZXRPUXGSLR-ZDUSSCGKSA-N, BOC-L-TYR(2,6-DI-ME), KS-000025WW, ZINC2385582, ANW-46621, MFCD01860643, t-butoxycarbonyl-2,6-dimethyltyrosine, AKOS015998776, AS06807, GS-2603, RL06139, AC-28925, AJ-35160, OR313038, SC-41901, AB0027967, AX8226354, TC-135366, FT-0700578, W9887, Racemic t-butoxycarbonyl 2,6-dimethyltyrosine, N-tert-Butoxycarbonyl-2,6-dimethyl-L-tyrosine, X-1189, A846108, l-tyrosine, n[(1,1-dimethylethoxy) carbonyl] -2,6, 2-(tert-butoxycarbonylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid, (2S)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-(4-HYDROXY-2,6-DIMETHYLPHENYL)PROPANOIC ACID, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid, (S)-2-tert-Butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic acid, (2S)-3-(2,6-dimethyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, C16H23NO5, ACN-055108, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoicacid,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	309.158g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	309.362g/mol
Monoisotopic Mass	309.158g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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