AG003CKX

112471-82-6 | L-Glutamic acid gamma-cyclohexyl ester

AG003CKX

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CAS Number	112471-82-6
Catalog Number	AG003CKX(AGN-PC-0NXXDS)
Chemical Name	L-Glutamic acid gamma-cyclohexyl ester
IUPAC Name	(2S)-2-amino-5-cyclohexyloxy-5-oxopentanoic acid
InChI	InChI=1S/C11H19NO4/c12-9(11(14)15)6-7-10(13)16-8-4-2-1-3-5-8/h8-9H,1-7,12H2,(H,14,15)/t9-/m0/s1
InChI Key	JSYMWKYNCWQUOY-VIFPVBQESA-N
MDL Number	MFCD00153436
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	O=C(O)[C@@H](N)CCC(OC1CCCCC1)=O
Synonyms	H-Glu(OcHex)-OH, 112471-82-6, (S)-2-Amino-5-(cyclohexyloxy)-5-oxopentanoic acid, H-GLU(OCHX)-OH, L-GLUTAMIC ACID 5-CYCLOHEXYL ESTER, AK-46071, PubChem14922, SCHEMBL1845737, ZINC2526300, CH-307, MFCD00153436, AKOS015901115, AKOS015924101, L-Glutamic acid gamma-cyclohexyl ester, AC-8652, ACM112471826, AJ-37590, R606, ST2402785, FT-0642748, K-0954, C-13260, |A-cyclohexyl L-glutamate, C11H19NO4, H-Glu(OcHex)-OH - 10G 10g, A7169, Diethyl L-glutamate hydrochloride; Glutamic acid diethyl ester hydrochloride,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

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