AG00C667

42807-66-9 | N-Me-Leu-Obzl P-Tosylate

AG00C667

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CAS Number	42807-66-9
Catalog Number	AG00C667(AGN-PC-0WADGQ)
Chemical Name	N-Me-Leu-Obzl P-Tosylate
IUPAC Name	benzyl (2S)-4-methyl-2-(methylamino)pentanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C14H21NO2.C7H8O3S/c1-11(2)9-13(15-3)14(16)17-10-12-7-5-4-6-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,11,13,15H,9-10H2,1-3H3;2-5H,1H3,(H,8,9,10)/t13-;/m0./s1
InChI Key	HQAGSSPEDLUVSS-ZOWNYOTGSA-N
MDL Number	MFCD00083659
Molecular Formula	C21H29NO5S
Molecular Weight	407.5237
SMILES	CC(C)C[C@H](NC)C(OCC1=CC=CC=C1)=O.O=S(C2=CC=C(C)C=C2)(O)=O
Synonyms	42807-66-9, N-ME-LEU-OBZL P-TOSYLATE, H-N-Me-Leu-Obzl.TosOH, AK165557, H-N-Me-Leu-OBzlosOH, N-Me-Leu-OBzl TosOH, H-N-Me-Leu-OBzl.Tos.OH, N-Me-Leu-OBzl . p-tosylate, KS-00000GTI, C14H21NO2.C7H8O3S, CH-540, MFCD00083659, DS-9023, ACM42807669, FT-0696022, Z5875, K-8850, C-55306, (S)-Benzyl 4-methyl-2-(methylamino)pentanoate 4-methylbenzenesulfonate, H-N-Me-Leu-OBzl.TosOH - 25G 25g, N-a-methyl-L-leucine benzyl ester p-tosylate, N-Methyl-L-leucine phenylmethyl ester 4-methylbenzenesulfonate,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	407.177g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	407.525g/mol
Monoisotopic Mass	407.177g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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