AG00BCWI

270596-37-7 | FMOC-(S)-3-AMINO-4-(2-CHLORO-PHENYL)-BUTYRIC ACID

AG00BCWI

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CAS Number	270596-37-7
Catalog Number	AG00BCWI(AGN-PC-0R2XTV)
Chemical Name	FMOC-(S)-3-AMINO-4-(2-CHLORO-PHENYL)-BUTYRIC ACID
IUPAC Name	(3S)-4-(2-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C25H22ClNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1
InChI Key	RTGMPAHEDKUNFP-KRWDZBQOSA-N
MDL Number	MFCD01860997
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=CC=C4Cl
Synonyms	270596-37-7, Fmoc-(S)-3-Amino-4-(2-chloro-phenyl)-butyric acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2-chlorophenyl)butanoic acid, Fmoc-(S)-3-amino-4-(2-chlorophenyl)-butyric acid, Fmoc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid, Fmoc-2-chloro-L-beta-homophenylalanine, (3S)-4-(2-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid, Fmoc-(R)-3-amino-4-(2-chlorophenyl)butanoic acid, AC1MC58M, Fmoc-?-Homophe(2-Cl)-OH, ZINC2385916, Fmoc-2-chloro-L-b-homophenylalanine, CF-423, MFCD01860997, AKOS015948768, AC-22154, ACM270596377, AJ-35234, AS-48780, CC-28556, AX8001729, RT-012855, TL8006434, CS-0062185, FT-0644318, A-8237, 596F377, C-22306, Fmoc-(S)-3-amino-4-(2-chloro-phenyl)-butyric acid, AldrichCPR, (3S)-4-(2-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3S)-4-(2-chlorophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (3S)-4-(2-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(2-chlorophenyl)butanoic acid, CID2761564, Fmoc-(S)-3-amino-4-(2-chlorophenyl)butanoic acid, Benzenebutanoic acid, 2-chloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-, 268734-29-8,

Complexity	607
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-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