AG00G4EA

849440-33-1 | (2S)-2-[(tert-Butoxy)carbonylamino]-3-(3,5-dimethylphenyl)propanoic acid

AG00G4EA

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CAS Number	849440-33-1
Catalog Number	AG00G4EA(AGN-PC-0OJH8D)
Chemical Name	(2S)-2-[(tert-Butoxy)carbonylamino]-3-(3,5-dimethylphenyl)propanoic acid
IUPAC Name	(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C16H23NO4/c1-10-6-11(2)8-12(7-10)9-13(14(18)19)17-15(20)21-16(3,4)5/h6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key	YTXNDRYCIWRWPG-ZDUSSCGKSA-N
MDL Number	MFCD09841968
Molecular Formula	C16H23NO4
Molecular Weight	293.3581
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC(C)=CC(C)=C1
Synonyms	849440-33-1, Boc-Phe(3,5-Me)-OH, (2S)-2-[(tert-butoxy)carbonylamino]-3-(3,5-dimethylphenyl)propanoic acid, SCHEMBL2132063, KS-00000TQD, YTXNDRYCIWRWPG-ZDUSSCGKSA-N, Boc-3,5-Dimethyl-L-Phenylalanine, MFCD09841968, ZINC44296062, AKOS030632758, GS-7201, KS-000026E4, n-(tert-butoxycarbonyl)-3,5-dimethyl-l-phenylalanine, N-(tert-Butyloxycarbonyl)-3,5-dimethyl-L-phenylalanine, (S)-2-((t-Butoxycarbonyl)amino)-3-(3,5-dimethylphenyl)propanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-dimethylphenyl)propanoic acid, Boc-3,5-Dimethy-L-Phenylalanine,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	293.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	293.363g/mol
Monoisotopic Mass	293.163g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

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