AG001JTG

1445976-44-2 | D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5-methyl-

AG001JTG

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CAS Number	1445976-44-2
Catalog Number	AG001JTG(AGN-PC-0WAN64)
Chemical Name	D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5-methyl-
IUPAC Name	(2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI	InChI=1S/C12H23NO4/c1-8(2)6-7-9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChI Key	PMBPWNBVQINJRH-SECBINFHSA-N
MDL Number	MFCD11973692
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	CC(C)CC[C@@H](NC(OC(C)(C)C)=O)C(O)=O
Synonyms	(R)-2-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid, 1445976-44-2, 208522-10-5, AK141179, (S)-2-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid, KS-00000RTY, DTXSID90856811, MFCD11973692, ZINC70414960, AKOS022173328, DS-7228, FCH1628822, SC-82463, AJ-117348, AX8281373, N-(tert-Butoxycarbonyl)-5-methyl-D-norleucine, Boc-?(S)?-?2-?amino-?5-?methylhexanoic acid, (R)-2-(tert-butoxycarbonylamino)-5-methylhexanoic acid, D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5-methyl-, (4R,5S)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylic acid, Boc-(R)-2-amino-5-methylhexanoic acid, N/A,

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	2.6

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

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