AG0034JR

50654-94-9 | 2-[(tert-Butoxycarbonyl)amino]-3-(1h-imidazol-4-yl)propanoic acid

AG0034JR

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CAS Number	50654-94-9
Catalog Number	AG0034JR(AGN-PC-0OBDTI)
Chemical Name	2-[(tert-Butoxycarbonyl)amino]-3-(1h-imidazol-4-yl)propanoic acid
IUPAC Name	(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m1/s1
InChI Key	AYMLQYFMYHISQO-MRVPVSSYSA-N
MDL Number	MFCD00037851
Molecular Formula	C11H17N3O4
Molecular Weight	255.2704
SMILES	C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)CC=1N=CNC1
Synonyms	Boc-D-His-OH, 50654-94-9, N-Alpha-boc-D-histidine, MFCD00037851, D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-, (R)-2-((tert-Butoxycarbonyl)amino)-3-(1H-imidazol-4-yl)propionic acid, Q-101818, N-Boc-D-histidine, (R)-2-((tert-Butoxycarbonyl)amino)-3-(1H-imidazol-4-yl)propanoic acid, N|A-Boc-D-histidine, BocD-His-OH, N-|A-Boc-D-histidine, AC1MC5LW, N-A-BOC-D-HISTIDINE, SCHEMBL1133305, CTK8F8271, (2R)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (tert-Butoxycarbonyl)-D-histidine, AYMLQYFMYHISQO-MRVPVSSYSA-N, N-t-butoxycarbonyl-(D)-histidine, KS-000018PR, N-(tert-butoxycarbonyl)-D-histidine, ZINC35024357, AKOS015924147, AB01670, AM81804, AK-49840, BBV-44993988, Boc-D-His-OH, >=98.0% (TLC), ST077861, AX8033853, CS-0045025, FT-0654129, N-ALPHA-T-BUTYLOXYCARBONYL-D-HISTIDINE, K-9364, 654B949, C-48401, (2R)-2-[(tert-butoxy)carbonylamino]-3-imidazol-4-ylpropanoic acid, (R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(1H-IMIDAZOL-5-YL)PROPANOATE, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(1H-IMIDAZOL-4-YL)PROPANOIC ACID, Boc-His-OH, BOC-D-HISTIDINE, NSC334942, ACN-033264, CID2724761, Nalpha-Boc-D-histidine, 98% - 1G 1g, 17791-52-5,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	255.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	255.274g/mol
Monoisotopic Mass	255.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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