AG002JU5

20866-46-0 | L-Histidine, N,1-bis[(1,1-dimethylethoxy)carbonyl]-

AG002JU5

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CAS Number	20866-46-0
Catalog Number	AG002JU5(AGN-PC-0O7OJV)
Chemical Name	L-Histidine, N,1-bis[(1,1-dimethylethoxy)carbonyl]-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
InChI	InChI=1S/C16H25N3O6/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21)/t11-/m0/s1
InChI Key	IXHPIPUIOSSAIS-NSHDSACASA-N
MDL Number	MFCD00065577
Molecular Formula	C16H25N3O6
Molecular Weight	355.3862
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CN(C(OC(C)(C)C)=O)C=N1
Synonyms	Boc-His(Boc)-OH, 20866-46-0, (S)-3-(1-(tert-Butoxycarbonyl)-1H-imidazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid, N,N'-Di-tert-butoxycarbonyl-L-histidine, L-Histidine, N,1-bis[(1,1-dimethylethoxy)carbonyl]-, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid, Q-101820, (s)-3-(1-(tert-butoxycarbonyl)-1h-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid, Nalpha,Nim-Di-Boc-L-histidine, PubChem12026, AC1ODZ1Y, Boc-His(Boc)-OH. DCHA, SCHEMBL3008885, CTK3J1699, DTXSID80427478, IXHPIPUIOSSAIS-NSHDSACASA-N, ZINC2584387, ANW-58552, CB-896, MFCD00065577, AKOS015892674, AKOS015924152, N-ALPHA,NIM-DI-BOC-L-HISTIDINE, ACM20866460, AJ-43432, AK-80245, AS-19303, SC-25913, N,1-bis(tert-butoxy-carbonyl)-L-histidine, AX8008519, TC-147297, FT-0081976, FT-0601960, ST24036085, X6664, M03293, A814986, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-imidazolyl]propanoic acid, Boc-His(Boc)-OH.DCHA, C16H25N3O6, ACN-026322, CID7023100, CID 7019673, Boc-His(Boc)-OH, 99% - 5G 5g, A7773, 4-[2-[(tert-Butoxycarbonyl)amino]-2-carboxyethyl]imidazole-1-carboxylic acid tert-butyl ester, 4-[2-[(tert-Butoxycarbonyl)amino]-2-carboxyethyl]imidazole-1-carboxylic acid tert-butyl ester; N,N'-Di(Boc)-L-histidine; N,N'-Di(tert-Butoxycarbonyl)-L-histidine,

Complexity	509
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	355.174g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	355.391g/mol
Monoisotopic Mass	355.174g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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