AG002DMB

18938-60-8 | L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester

AG002DMB

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CAS Number	18938-60-8
Catalog Number	AG002DMB(AGN-PC-0O5YOL)
Chemical Name	L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C18H27NO5/c1-17(2,3)23-15(21)14(19-16(22)24-18(4,5)6)11-12-7-9-13(20)10-8-12/h7-10,14,20H,11H2,1-6H3,(H,19,22)/t14-/m0/s1
InChI Key	WGJGINMQCMATNP-AWEZNQCLSA-N
MDL Number	MFCD20264826
Molecular Formula	C18H27NO5
Molecular Weight	337.4107
SMILES	O=C(OC(C)(C)C)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(O)C=C1
Synonyms	Boc-Tyr-OtBu, 18938-60-8, Boc-L-Tyr-OTBU, (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoate, AK175420, SCHEMBL2076110, WGJGINMQCMATNP-AWEZNQCLSA-N, MFCD20264826, ZINC34574914, AKOS025405208, DS-9010, N-(Boc)-(L)-tyrosine, tert-butyl Ester, CS-0030789, N-(t-butoxycarbonyl)-l-tyrosine t-butyl ester, tert-butyl (tert-butoxycarbonyl)-L-tyrosinate, N-(tert-Butoxycarbonyl)-L-tyrosine tert-butyl ester, L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester,

Complexity	428
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	337.189g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	337.416g/mol
Monoisotopic Mass	337.189g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

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