AG00HSGF

13139-16-7 | L-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-

AG00HSGF

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CAS Number	13139-16-7
Catalog Number	AG00HSGF(AGN-PC-0O104H)
Chemical Name	L-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-
EC Number	236-074-8
IUPAC Name	(2S,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-YUMQZZPRSA-N
MDL Number	MFCD09951993
Molecular Formula	C11H21NO4
Molecular Weight	231.2887
SMILES	C(=O)(OC(C)(C)C)N[C@@H]([C@@H](C)CC)C(=O)O
Synonyms	Boc-L-isoleucine, 13139-16-7, Boc-Ile-OH, Boc-DL-Ile-OH, Boc-L-Ile-OH, N-(tert-Butoxycarbonyl)-L-isoleucine, N-Boc-L-isoleucine, 116194-21-9, (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acid, Boc-DL-isoleucine, L-Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, MFCD00038324, QJCNLJWUIOIMMF-YUMQZZPRSA-N, (2S,3S)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-Methylpentanoic Acid, tert-Butyloxycarbonyl-L-isoleucine, (2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoic acid, N-tert-Butoxycarbonyl-L-isoleucine, (2S,3S)-2-[(tert-butoxy)carbonylamino]-3-methylpentanoic acid, (2S,3S)-2-[(tert-butoxycarbonyl)amino]-3-methylpentanoic acid, N-tertbutyloxycarbonyl-isoleucine, Boc-Ile, N-Boc-Ile, Boc-Ile-OH hydrate, Boc-(L)-isoleucine, BOC-ISOLEUCINE, PubChem11175, Boc-Ile-OH hemihydrate, Boc-lle-OH?/2H2O, t-butoxycarbonylisoleucine, AC1MC5LZ, Boc-Ile-OH, 98%, BOC--L--Ile--OH, t-butyloxycarbonylisoleucine, Boc-Ile-OH.1/2H2O, N-t-butoxycarbonylisoleucine, AC1Q2C7K, N-T-BOC-L-ISOLEUCINE, KSC493S3P, Boc-DL-Ile-OH, AldrichCPR, SCHEMBL627379, t-butyloxycarbonyl-L-isoleucine, Jsp001887, CHEMBL1229089, CTK3J3937, N-t-butyloxycarbonyl-L-isoleucine, ACT07166, KS-00000AA7, ZINC1576249, N-(t-butyloxycarbonyl)-L-isoleucine, 6335AH, ANW-41683, MFCD00237550, SBB028561, AKOS010367326, AKOS015841932, AB01727, CS-W020054, MCULE-8068460691, NE11428, RTR-004287, (TERT-BUTOXYCARBONYL)-L-ISOLEUCINE, AJ-27313, AS-12731, BP-12968, BR-46593, SC-09614, TL806182, AB0012386, AB1002258, ST2412703, TR-004287, AM20080225, B1186, FT-0636813, ST50307206, N-.alpha.-(tert-Butoxycarbonyl)-L-Isoleucine, M-6341, Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, 139B167, J-003398, N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-isoleucine, N-(tert-Butoxycarbonyl)-L-isoleucine; Boc-L-isoleucine, Z1520645036, (2S,3S)-2-tert-butoxycarbonylamino-3-methyl-pentanoic acid, (2S,3S)-2-(tert-butoxycarbonyl-amino)-3-methyl-valeric acid, (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid, N-Boc-L-isoleucinol, tert-Butoxycarbonylisoleucine, Boc-L-isoleucine hemihydrate, tert-Butyloxycarbonylisoleucine, BOC-ILE-OH 1/2H2O, tert-Butoxycarbonyl-L-isoleucine, C11H21NO4, EINECS 236-074-8, C11-H21-N-O4, ACN-033306, CB10856, CID2724762, N-(tert-Butyloxycarbonyl)-L-isoleucine, NSC 334311, Boc-Ile-OH, 99% - 25G 25g, Boc-L-isoleucine, 99% - 25G 25g, A7781, N-((1,1-Dimethylethoxy)carbonyl)-L-isoleucine, Isoleucine, N-carboxy-, N-tert-butyl ester, L-, L-Isoleucine, N-((1,1-dimethylethoxy)carbonyl)-, Boc-lle-OH inverted exclamation mark currency1/2 H2O, N-Boc-(2S,3S)-(-)-2-Amino-3-methyl-1-pentanol, 106946-74-1,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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