AG004NS0

87694-53-9 | N-Boc-N-methoxy-N-methyl-L-phenylalaninamide

AG004NS0

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CAS Number	87694-53-9
Catalog Number	AG004NS0(AGN-PC-0VFXZB)
Chemical Name	N-Boc-N-methoxy-N-methyl-L-phenylalaninamide
IUPAC Name	tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI	InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)17-13(14(19)18(4)21-5)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3,(H,17,20)/t13-/m0/s1
InChI Key	ZAHRDPIWMGLOQJ-ZDUSSCGKSA-N
MDL Number	MFCD00151891
Molecular Formula	C16H24N2O4
Molecular Weight	308.3728
SMILES	O=C(OC(C)(C)C)N[C@@H](CC1=CC=CC=C1)C(N(OC)C)=O
Synonyms	87694-53-9, BOC-PHE-N(OCH3)CH3, N-Boc-N-methoxy-N-methyl-L-phenylalaninamide, Boc-Phe-Weinreb amide, Nalpha-(tert-Butoxycarbonyl)-N-methoxy-N-methyl-L-phenylalaninamide, (S)-tert-butyl 1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-ylcarbamate, (S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, ZAHRDPIWMGLOQJ-ZDUSSCGKSA-N, SCHEMBL1204211, tert-butyl N-[(1S)-1-[methoxy(methyl)carbamoyl]-2-phenylethyl]carbamate, CTK8G1689, DTXSID90453602, KS-00001LV1, ZINC2517127, 6435AH, KM2547, MFCD00151891, AKOS027340140, DS-12455, Boc-L-phenylalanine N-methoxy-N-methyl amide, FT-0642067, n-tert-butoxycarbonyl-phenylalanine-n-methoxy-n-methylamide, N-Methoxy-N-methyl-Nalpha -t-butoxycarbonyl-L-phenylalaninamide, N-(tert-butyloxy-carbonyl)-L-phenylalanine N,O-dimethylhydroxylamide, N-Methoxy-N-methyl 2(S)-(tert-butoxycarbonylamino)-3-phenylpropionamide, Nalpha -tert-butyloxycarbonyl-N,O-dimethyl-phenylalanine hydroxamic acid, Nalpha-(tert-butoxycarbonyl)-N-methoxy-N-methyl-L-phenylalanine-amide, tert-Butyl [(1S)-1-benzyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamate, [(s)-1-(methoxy-methyl-carbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester, tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamate, N-[(1S)-2-(Methoxymethylamino)-2-oxo-1-(phenylmethyl)ethyl]carbamic Acid 1,1-Dimethylethyl Ester, BOC-PHE-N CH3, C16H24N2O4, NSC655436, CID11055945, N-Boc-L-phenylalanine N'-methoxy-N'-methylamide,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	308.174g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	308.378g/mol
Monoisotopic Mass	308.174g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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