AG007UVN

16948-40-6 | N-​(tert-​Butoxycarbonyl)​-​L-​valine 4-​nitrophenyl ester

AG007UVN

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CAS Number	16948-40-6
Catalog Number	AG007UVN(AGN-PC-0O4SM1)
Chemical Name	N-​(tert-​Butoxycarbonyl)​-​L-​valine 4-​nitrophenyl ester
IUPAC Name	(4-nitrophenyl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI	InChI=1S/C16H22N2O6/c1-10(2)13(17-15(20)24-16(3,4)5)14(19)23-12-8-6-11(7-9-12)18(21)22/h6-10,13H,1-5H3,(H,17,20)/t13-/m0/s1
InChI Key	ALJZEMRUAOJSPP-ZDUSSCGKSA-N
MDL Number	MFCD00076995
Molecular Formula	C16H22N2O6
Molecular Weight	338.3557
SMILES	[N+](=O)([O-])C1=CC=C(C=C1)OC([C@@H](NC(=O)OC(C)(C)C)C(C)C)=O
Synonyms	Boc-Val-ONp, 16948-40-6, (S)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, Boc-L-Valine 4-nitrophenyl ester, SCHEMBL7341887, CTK8B8720, DTXSID60427032, ZINC2555055, 8687AA, ANW-61114, MFCD00076995, AKOS016003498, AX8118520, TC-149859, FT-0772544, C-54824, N-(tert-Butoxycarbonyl)-L-valine 4-nitrophenyl ester, N-alpha-t-Butyloxycarbonyl-L-valine p-nitrophenyl ester, (S)-4-nitrophenyl 2-(tert-butoxycarbonylamino)-3-methylbutanoate, ALJZEMRUAOJSPP-ZDUSSCGKSA-N, C16H22N2O6, ZINC02555055, CID7018798,

Complexity	458
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	338.148g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	338.36g/mol
Monoisotopic Mass	338.148g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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