AG003QMK

270596-43-5 | Fmoc-(s)-3-amino-4-(4-chloro-phenyl)-butyric acid

AG003QMK

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CAS Number	270596-43-5
Catalog Number	AG003QMK(AGN-PC-0R2XXI)
Chemical Name	Fmoc-(s)-3-amino-4-(4-chloro-phenyl)-butyric acid
IUPAC Name	(3S)-4-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C25H22ClNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
InChI Key	FMGGSUXYRDKFJX-SFHVURJKSA-N
MDL Number	MFCD01861002
Molecular Formula	C25H22ClNO4
Molecular Weight	435.8995
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(Cl)C=C4
Synonyms	270596-43-5, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-chlorophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(4-chloro-phenyl)-butyric acid, Fmoc-(S)-3-Amino-4-(4-chlorophenyl)butyric acid, (3S)-4-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid, Fmoc-4-chloro-L-beta-homophenylalanine, Fmoc-(S)-3-amino-4-(4-chlorophenyl)-butyric acid, Fmoc-(S)-3-amino-4-(4-chlorophenyl)butanoic acid, AC1MC59A, Fmoc-?-Homophe(4-Cl)-OH, SCHEMBL15674221, ZINC2385922, Fmoc-4-chloro-L-b-homophenylalanine, CF-425, MFCD01861002, AKOS015895405, CS-W011614, AC-22165, ACM270596435, AJ-35239, AK114881, AN-29124, CC-28574, PS-12090, SC-66236, AX8001731, RT-012892, FT-0644324, A-7960, 596F435, C-22308, Fmoc-(S)-3-amino-4-(4-chloro-phenyl)-butyric acid, AldrichCPR, (3S)-4-(4-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3S)-4-(4-chlorophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (3S)-4-(4-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-chlorophenyl)butanoic acid, CID2761572, (s)-n-(9-fluorenylmethyloxycarbonyl)-3-amino-4-(4-chlorophenyl)butyric acid, Benzenebutanoic acid, 4-chloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-,

Complexity	599
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	435.124g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	435.904g/mol
Monoisotopic Mass	435.124g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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