AG00BC3T

269398-81-4 | Fmoc-(R)-3-Amino-4-(2-methyl-phenyl)-butyric acid

AG00BC3T

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CAS Number	269398-81-4
Catalog Number	AG00BC3T(AGN-PC-0R2UCI)
Chemical Name	Fmoc-(R)-3-Amino-4-(2-methyl-phenyl)-butyric acid
IUPAC Name	(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-methylphenyl)butanoic acid
InChI	InChI=1S/C26H25NO4/c1-17-8-2-3-9-18(17)14-19(15-25(28)29)27-26(30)31-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m1/s1
InChI Key	YOSGJRFPFRIFNX-LJQANCHMSA-N
MDL Number	MFCD01860923
Molecular Formula	C26H25NO4
Molecular Weight	415.4810
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=CC=C4C
Synonyms	269398-81-4, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(o-tolyl)butanoic acid, Fmoc-(R)-3-Amino-4-(2-methylphenyl)butanoic acid, Fmoc-(R)-3-Amino-4-(2-methyl-phenyl)-butyric acid, Fmoc-2-methyl-D-beta-homophenylalanine, Fmoc-2-methyl-L-beta-homophenylalanine, Fmoc-D-?-Homophe(2-Me)-OH, ZINC2385819, CF-667, MFCD01860923, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-methylphenyl)butanoic Acid, AC-22227, ACM269398814, AJ-35197, AK114825, CC-28535, PS-12260, AX8001821, RT-012860, CS-0061334, FT-0644203, V1023, 398F814, C-21987, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(o-tolyl)butanoic acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(o-tolyl)butyric acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-o-tolylbutanoic acid, (3R)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(2-methylphenyl)butanoic acid, (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(2-methylphenyl)butanoic acid, C26H25NO4, CID7009747, Fmoc-(R)-3-amino-4-(2-methylphenyl)-butyric acid, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (betaR)-, 270062-91-4,

Complexity	601
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	415.178g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	415.489g/mol
Monoisotopic Mass	415.178g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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