AG007M70

270062-93-6 | (S)-3-((tert-Butoxycarbonyl)amino)-4-(m-tolyl)butanoic acid

AG007M70

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CAS Number	270062-93-6
Catalog Number	AG007M70(AGN-PC-0R2WH9)
Chemical Name	(S)-3-((tert-Butoxycarbonyl)amino)-4-(m-tolyl)butanoic acid
IUPAC Name	(3S)-4-(3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C16H23NO4/c1-11-6-5-7-12(8-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key	JTZSMOJWZPUZGN-ZDUSSCGKSA-N
MDL Number	MFCD01861023
Molecular Formula	C16H23NO4
Molecular Weight	293.3581
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC(C)=C1
Synonyms	270062-93-6, Boc-(S)-3-Amino-4-(3-methylphenyl)butyric acid, (S)-3-((tert-butoxycarbonyl)amino)-4-(m-tolyl)butanoic acid, (3S)-4-(3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, (3S)-3-(tert-butoxycarbonylamino)-4-(m-tolyl)butanoic acid, Boc-3-methyl-L-beta-homophenylalanine, AC1MC5BV, Boc-?-Homophe(3-Me)-OH, 269398-83-6, Boc-3-methyl-D-b-homophenylalanine, ZINC2385950, MFCD01861023, AKOS015948865, RTR-012170, AC-22230, ACM270062936, AK188098, AN-29288, CC-24894, PS-12261, TR-012170, FT-0644256, 062B936, C-18410, (S)-3-(tert-butoxycarbonylamino)-4-m-tolylbutanoic acid, (3S)-3-(tert-butoxycarbonylamino)-4-(m-tolyl)butyric acid, (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(3-methylphenyl)butyric acid, (3S)-3-[(tert-butoxycarbonyl)amino]-4-(3-methylphenyl)butanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(3-methylphenyl)butanoic acid, (3S)-4-(3-methylphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, Boc-(S)-3-Amino-4-(3-methyl-phenyl)-butyric acid, CB-1314, CID2761603, Boc-(S)-3-Amino-4-(3-methylphenyl)butanoic acid, Boc-(S)-3-amino-4-(3-methylphenyl)-butyric acid,

Complexity	362
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	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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