AG00BBS4

270063-49-5 | Fmoc-(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid

AG00BBS4

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CAS Number	270063-49-5
Catalog Number	AG00BBS4(AGN-PC-0R2WLL)
Chemical Name	Fmoc-(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid
IUPAC Name	(3S)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C25H21Cl2NO4/c26-16-10-9-15(23(27)12-16)11-17(13-24(29)30)28-25(31)32-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12,17,22H,11,13-14H2,(H,28,31)(H,29,30)/t17-/m0/s1
InChI Key	UAGBOWBNDBDJMF-KRWDZBQOSA-N
MDL Number	MFCD01861045
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=C4Cl
Synonyms	270063-49-5, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2,4-dichlorophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(2,4-dichloro-phenyl)-butyric acid, Fmoc-2,4-dichloro-L-beta-homophenylalanine, Fmoc-(S)-3-amino-4-(2,4-dichlorophenyl)-butyric acid, (3S)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, Fmoc-?-Homophe(2,4-DiCl)-OH, AK114858, AC1MC5EM, Fmoc-(S)-3-amino-4-(2,4-dichlorophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(2,4-dichloro-phenyl)butyric acid, KS-00000IK8, ZINC2575634, CF-426, MFCD01861045, DS-3921, AC-22171, ACM270063495, AJ-42400, CC-28555, AX8001714, RT-012851, CS-0061676, FT-0644273, C-22699, (3S)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3S)-4-(2,4-dichlorophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (3S)-4-(2,4-dichlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(2,4-dichlorophenyl)butanoic acid, CID2761636, FMOC- -3-AMINO-4- -BUTYRICACID, (3R)-4-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid, Benzenebutanoic acid, 2,4-dichloro-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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