AG0039RX

55780-90-0 | N-tert-Butoxycarbonyl-D-alloisoleucine

AG0039RX

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CAS Number	55780-90-0
Catalog Number	AG0039RX(AGN-PC-0OC9MY)
Chemical Name	N-tert-Butoxycarbonyl-D-alloisoleucine
IUPAC Name	(2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI	InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChI Key	QJCNLJWUIOIMMF-JGVFFNPUSA-N
MDL Number	MFCD05662352
Molecular Formula	C11H21NO4
Molecular Weight	231.2887
SMILES	C(C)(C)(C)OC(=O)N[C@H]([C@@H](C)CC)C(=O)O
Synonyms	55780-90-0, BOC-D-allo-Isoleucine, BOC-D-ALLO-ILE-OH, Boc-D-allo-lle-OH, (2R,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acid, n-(tert-butoxycarbonyl)-d-alloisoleucine, tert-Butoxycarbonylisoleucine, D-Alloisoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, (2R,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoic acid, tert-Butyloxycarbonylisoleucine, tert-Butoxycarbonyl-L-isoleucine, tert-Butyloxycarbonyl-L-isoleucine, N-(tert-Butyloxycarbonyl)-L-isoleucine, Boc-D-alloIle-OH, N-tert-Butoxycarbonyl-D-alloisoleucine, N-((1,1-Dimethylethoxy)carbonyl)-L-isoleucine, PubChem15618, AC1Q5XMF, AC1L34V2, SCHEMBL2159319, boc-D-allo-ile-oh, AldrichCPR, CTK6B1509, KS-00000ABQ, QJCNLJWUIOIMMF-JGVFFNPUSA-N, ACT10866, ZINC1576251, EINECS 236-074-8, ANW-41684, MFCD00237543, AKOS016842985, AM81863, AN-7811, FCH1620250, NSC 334311, N-tert-Butoxycarbonyl-D-allo-isoleucine, AJ-27315, AS-49220, SC-09612, AX8034098, TX-017456, FT-0698596, ST24034008, V6608, K-9939, 780B900, Isoleucine, N-carboxy-, N-tert-butyl ester, L- (8CI), (2R,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoic acid, (2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid, Boc-L-isoleucine, Boc-D-Ile-OH, Fmoc-Arg(Pbf)-OH, C11H21NO4, CID83171, AR-1K0235, N-(tert-Butoxycarbonyl)-L-isoleucine, ACN-033305, CB11024, CB11026, L-Isoleucine, N-((1,1-dimethylethoxy)carbonyl)-, 13139-16-7, 13228-82-5, 154445-77-9,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	231.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	231.292g/mol
Monoisotopic Mass	231.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number