AG007C7I

110763-40-1 | (R)-2-((tert-Butoxycarbonyl)amino)-3-mercapto-3-methylbutanoic acid

AG007C7I

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CAS Number	110763-40-1
Catalog Number	AG007C7I(AGN-PC-0NXGKZ)
Chemical Name	(R)-2-((tert-Butoxycarbonyl)amino)-3-mercapto-3-methylbutanoic acid
IUPAC Name	(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylbutanoic acid
InChI	InChI=1S/C10H19NO4S/c1-9(2,3)15-8(14)11-6(7(12)13)10(4,5)16/h6,16H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChI Key	KATRCIRDUXIZQK-ZCFIWIBFSA-N
MDL Number	MFCD02682558
Molecular Formula	C10H19NO4S
Molecular Weight	249.3272
SMILES	[C@H](NC(=O)OC(C)(C)C)(C(C)(C)S)C(=O)O
Synonyms	110763-40-1, (R)-2-((tert-Butoxycarbonyl)amino)-3-mercapto-3-methylbutanoic acid, N-BOC-L-(+)-PENICILLAMINE, Boc-L-penicillamine, (2R)-2-(tert-butoxycarbonylamino)-3-methyl-3-sulfanyl-butanoic acid, N-(tert-Butoxycarbonyl)-3-sulfanyl-L-valine, L-Valine,N-[(1,1-dimethylethoxy)carbonyl]-3-mercapto-, SCHEMBL3151434, CTK4A7047, DTXSID20554696, KATRCIRDUXIZQK-ZCFIWIBFSA-N, C39H37N5O7, ZINC2583252, 1987AA, 1988AA, ANW-64849, FCH3675762, N-(tert-Butoxycarbonyl)-L-penicillamine, AJ-87455, AN-33613, N-tert-Butoxycarbonyl-3-mercapto-L-valine, AX8234918, TC-153594, ST24035233, (R)-N-(1,1-dimethylethoxy)carbonylpenicillamine, 763B401, (2R)-2-(tert-butoxycarbonylamino)-3-mercapto-3-methyl-butyric acid, (2R)-3-mercapto-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-butanoic acid, (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylbutanoic acid, C10H19NO4S, (R)-2-((tert-Butoxycarbonyl)amino)-3-mercapto-3-methylbutanoicacid, N-Benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-adenosine, 110764-72-2,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.103g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	249.325g/mol
Monoisotopic Mass	249.103g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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