AG003641

212688-54-5 | Fmoc-D-beta-Homoleucine

AG003641

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CAS Number	212688-54-5
Catalog Number	AG003641(AGN-PC-0QXTFK)
Chemical Name	Fmoc-D-beta-Homoleucine
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
InChI	InChI=1S/C22H25NO4/c1-14(2)11-15(12-21(24)25)23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m1/s1
InChI Key	YLVSABQQLLRFIJ-OAHLLOKOSA-N
MDL Number	MFCD06202394
Molecular Formula	C22H25NO4
Molecular Weight	367.4382
SMILES	C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CC(=O)O)CC(C)C
Synonyms	212688-54-5, Fmoc-D-beta-Homoleucine, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-methylhexanoic acid, AK163826, TMBA018, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid, KS-00000SPC, ZINC2504850, Fmoc-D-beta-homoleucine, AldrichCPR, MFCD06202394, AKOS025117418, FCH3594159, PS-12442, AX8294936, CS-0035624, ST24035389, (3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methylhexanoic acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-hexanoic acid, (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-methylhexanoic acid, C22H25NO4,

Complexity	498
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	367.178g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	367.445g/mol
Monoisotopic Mass	367.178g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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