AG003QMF

269396-57-8 | Fmoc-(R)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid

AG003QMF

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CAS Number	269396-57-8
Catalog Number	AG003QMF(AGN-PC-0R2V0C)
Chemical Name	Fmoc-(R)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid
IUPAC Name	(3R)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C25H21Cl2NO4/c26-22-10-9-15(12-23(22)27)11-16(13-24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,16,21H,11,13-14H2,(H,28,31)(H,29,30)/t16-/m1/s1
InChI Key	NVROSHMPZXMHHP-MRXNPFEDSA-N
MDL Number	MFCD01860950
Molecular Formula	C25H21Cl2NO4
Molecular Weight	470.3445
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(Cl)C(Cl)=C4
Synonyms	269396-57-8, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid, Fmoc-(R)-3-amino-4-(3,4-dichlorophenyl)-butyric acid, Fmoc-3,4-dichloro-D-beta-homophenylalanine, Fmoc-D-?-Homophe(3,4-DiCl)-OH, Fmoc-(S)-3-amino-4-(3,4-dichlorophenyl)butanoic acid, SCHEMBL1514600, Fmoc-(R)-3-Amino-4-(3,4-dichloro-phenyl)butyric acid, (3R)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, ZINC2385864, CF-413, MFCD01860950, CS-W013832, AC-22178, ACM269396578, AJ-35213, AK114818, AS-48798, CC-28539, AX8001713, RT-012862, FT-0644185, C-22702, (3R)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3R)-4-(3,4-dichlorophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (3R)-4-(3,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(3,4-dichlorophenyl)butanoic acid, CID7009788, Fmoc-(R)-3-Amino-4-(3,4-dichloro-phenyl)-butyric acid, Fmoc-(R)-3-amino-4-(3,4-dichlorophenyl)butanoic acid, (3S)-4-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid, 270063-52-0, Benzenebutanoic acid, 3,4-dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaR)-,

Complexity	640
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	469.085g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	470.346g/mol
Monoisotopic Mass	469.085g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

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

Lot Number