AG007M6Y

270063-51-9 | (S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid

AG007M6Y

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CAS Number	270063-51-9
Catalog Number	AG007M6Y(AGN-PC-0R2WLN)
Chemical Name	(S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid
IUPAC Name	(3S)-4-(3,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChI Key	WJEUUKADFJNOHW-JTQLQIEISA-N
MDL Number	MFCD01861047
Molecular Formula	C15H19Cl2NO4
Molecular Weight	348.2217
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(Cl)C(Cl)=C1
Synonyms	270063-51-9, (S)-3-((tert-Butoxycarbonyl)amino)-4-(3,4-dichlorophenyl)butanoic acid, Boc-(S)-3-amino-4-(3,4-dichloro-phenyl)-butyric acid, Boc-(S)-3-Amino-4-(3,4-dichloro-phenyl)butyric acid, Boc-(S)-3-Amino-4-(3,4-dichlorophenyl)-butyric acid, Boc-(S)-3-amino-4-(3,4-dichlorophenyl)butanoic acid, (3S)-4-(3,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, Boc-3,4-dichloro-L-beta-homophenylalanine, Boc-?-Homophe(3,4-DiCl)-OH, AK162602, AC1MC5EV, SCHEMBL1519890, KS-00000HQK, ZINC2575636, CB-818, MFCD01861047, AKOS015948751, DS-7830, RTR-012177, AC-22175, ACM270063519, CC-24888, SC-20444, AX8016037, TL8006406, TR-012177, FT-0644275, ST24036079, K-6918, C-20550, (S)-3,4-Dichloro-b-(Boc-amino)benzenebutanoic acid, Boc-(S)-3-AMINO-4-(3 pound not4-DICHLORO-PHENYL)-BUTYRIC AC, (3S)-3-(tert-butoxycarbonylamino)-4-(3,4-dichlorophenyl)butanoic acid, (3S)-3-(tert-butoxycarbonylamino)-4-(3,4-dichlorophenyl)butyric acid, (3S)-3-[(tert-butoxycarbonyl)amino]-4-(3,4-dichlorophenyl)butanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(3,4-dichlorophenyl)butanoic acid, (S)-3-(tert-butoxycarbonylamino)-4-(3,4-dichlorophenyl)butanoic acid, (3S)-4-(3,4-dichlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, WJEUUKADFJNOHW-JTQLQIEISA-N, ACN-026222, CID2761639, BOC- -3-AMINO-4- -BUTYRICACID, (3R)-4-(3,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, Benzenebutanoic acid, 3,4-dichloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-,

Complexity	398
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	347.069g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	348.22g/mol
Monoisotopic Mass	347.069g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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