AG0010TA

132549-43-0 | Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-

AG0010TA

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CAS Number	132549-43-0
Catalog Number	AG0010TA(AGN-PC-0O1258)
Chemical Name	Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-
IUPAC Name	(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI	InChI=1S/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChI Key	XRVAMBSTOWHUMM-VIFPVBQESA-N
MDL Number	MFCD02101665
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	CC(C)C[C@H](NC(OC(C)(C)C)=O)CC(O)=O
Synonyms	132549-43-0, Boc-L-beta-homoleucine, (S)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid, Boc-beta-Homoleu-OH, Boc-L-beta-HLeu-OH, N-Boc-L-beta-homoleucine, MFCD02101665, Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3S)-, (3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid, J-640382, (S)-3-(tert-butoxycarbonylamino)-5-methylhexanoic acid, (3s)-n-3-t-butoxycarbonyl-3-amino-5-methyl-hexanoic acid, AK-90329, (S)-3-(Boc-amino)-5-methylhexanoic acid, boc-leu-(c*ch2)oh, PubChem12105, rarechem em wb 0131, (s)-boc-beta2-hle-oh, (s)-boc-beta2-homoleucine, AC1MC55G, SCHEMBL4934738, Boc - L - beta - homoleucine, CTK8B3012, KS-00000IRK, DTXSID30375814, XRVAMBSTOWHUMM-VIFPVBQESA-N, BCP11551, ZINC2572715, ANW-41594, CB-726, AKOS015900923, BL720-1, FCH3675056, AC-22078, AJ-42077, DS-16843, SC-89402, n-beta-t-butoxycarbonyl-l-beta-homoleucine, AX8018043, Boc-beta-Homoleu-OH, >=98.0% (TLC), DB-038332, RT-011757, CS-0012624, FT-0687211, ST24026582, V1059, B-7119, (S)-3-(tert-butoxycarbonylamino)-5-methylhexanoic, (s)-3-tert-butoxycarbonylamino-5-methyl-hexanoic acid, I14-15613, (3S)-3-(tert-Butoxycarbonylamino)-5-methylhexanoic acid, (3S)-3-(tert-butoxycarbonylamino)-5-methyl-hexanoic acid, (3S)-3-[(tert-butoxycarbonyl)amino]-5-methylhexanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid, (3S)-5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid, Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-,(3S)-, Boc-L-?-Homoleucine, C12H23NO4, ACN-026020, CID2761526, 3-[(tert-butoxycarbonyl)amino]-5-methylhexanoic acid, (S)-3-(Boc-amino)-5-methylhexanoic acid, 98% - 1G 1g, 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic Acid, Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	245.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.319g/mol
Monoisotopic Mass	245.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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