AG00BC3S

269726-84-3 | Fmoc-(R)-3-Amino-4-(3-cyano-phenyl)-butyric acid

AG00BC3S

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CAS Number	269726-84-3
Catalog Number	AG00BC3S(AGN-PC-0R2UY2)
Chemical Name	Fmoc-(R)-3-Amino-4-(3-cyano-phenyl)-butyric acid
IUPAC Name	(3R)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C26H22N2O4/c27-15-18-7-5-6-17(12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m1/s1
InChI Key	JCMKWCSZEZUIQG-LJQANCHMSA-N
MDL Number	MFCD01860979
Molecular Formula	C26H22N2O4
Molecular Weight	426.4639
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=CC(C#N)=C4
Synonyms	269726-84-3, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-cyanophenyl)butanoic acid, Fmoc-(R)-3-Amino-4-(3-cyano-phenyl)-butyric acid, Fmoc-3-cyano-D-beta-homophenylalanine, (3R)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, ZINC2385898, MFCD01860979, AC-22190, ACM269726843, AJ-35226, AK114840, CC-28542, PS-12307, AX8001802, RT-012875, CS-0062067, FT-0644237, C-22170, Fmoc-(R)-3-Amino-4-(3-cyanophenyl)butyric acid, (3R)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3R)-4-(3-cyanophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (3R)-4-(3-cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (R)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(3-cyanophenyl)butanoic acid, CID7009832, Fmoc-(R)-3-Amino-4-(3-cyanophenyl)butanoic acid, Fmoc-(R)-3-amino-4-(3-cyanophenyl)-butyric acid, (3S)-4-(3-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid, Benzenebutanoic acid, 3-cyano-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaR)-,

Complexity	694
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	426.158g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	426.472g/mol
Monoisotopic Mass	426.158g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	99.4A^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-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