AG001Z71

1738-77-8 | L-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

AG001Z71

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CAS Number	1738-77-8
Catalog Number	AG001Z71(AGN-PC-0QAFD4)
Chemical Name	L-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
EC Number	217-095-1
IUPAC Name	benzyl (2S)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1
InChI Key	QTQGHKVYLQBJLO-YDALLXLXSA-N
MDL Number	MFCD00066117
Molecular Formula	C20H27NO5S
Molecular Weight	393.4971
SMILES	CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@](N)(CC(C)C)C(=O)OCC1=CC=CC=C1
Synonyms	1738-77-8, L-Leucine benzyl ester p-toluenesulfonate salt, L-Leucine Benzyl Ester p-Toluenesulfonate, H-Leu-OBzl.TosOH, L-Leucine benzyl ester tosylate, O-Benzyl-L-leucine toluene-p-sulphonate, (S)-Benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate, MFCD00066117, J-300165, Q-101702, H-Leu-OBzl.Tos, EINECS 217-095-1, C20H27NO5S, Leu-Obzl TosOH, H-Leu-OBzl TsOH, H-Leu-OBzl. Tos, H-Leu-OBzl.Tos-OH, PubChem12971, L-Leu-O-Bz p-tosylate, l-leucine benzyl ester ptsa, SCHEMBL717091, H-Leu-OBzl p-toluenesulfonate, Jsp003556, CTK4D4791, DTXSID70169658, l-leucine benzyl ester-p-tosylate, QTQGHKVYLQBJLO-YDALLXLXSA-N, benzyl leucinate p-toluenesulfonate, l-leucine benzyl ester monotosylate, AC1O5350, KS-00000ZJ9, ANW-22684, CL-005, AKOS015889629, AKOS015924109, l-leucine benzyl ester (p-tosyl) salt, leucine benzyl ester p-toluenesulfonate, AM81882, CS-W002303, RTR-007709, leucine benzyl ester p-toluene sulfonate, AK-41496, AN-49810, AS-13506, I495, AB1006937, AX8018878, FT-0627932, L0195, ST24026623, ST51037623, l-leucine benzyl ester 4-toluenesulfonate salt, M-1074, 738L778, C-21596, L-Leu-OBzl inverted exclamation mark currencyTosOH, L-leucine benzyl ester p-toluenesulfonic acid salt, L-LEUCINE BENZYL ESTER TOLUENE-4-SULFONATE, Leucine benzyl ester para-toluene sulphonic acid salt, L-Leucine benzyl ester p-toluenesulfonate salt, >=99.0% (T), L-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1), p-toluenesulfonic acid benzyl (2S)-2-amino-4-methylpentanoate, benzyl (2S)-2-amino-4-methyl-pentanoate; 4-methylbenzenesulfonic acid, benzyl (2S)-2-amino-4-methylpentanoate; 4-methylbenzenesulfonic acid, phenylmethyl (2S)-2-amino-4-methylpentanoate, 4-methylbenzenesulfonic acid, null, H-LEU-OBZL P-TOSYLATE, C13H19NO2.C7H8O3S, ACN-033335, CB11676, CID6451312, A7217, C13-H19-N-O2.C7-H8-O3-S, L-Leucine Benzyl Ester p-Methylbenzenesulfonate, H-Leu-OBzl inverted exclamation mark currencyTOS, L-Leucine benzyl ester toluene-4-sulfonate, 98% - 25G 25g, (S)-Leucine benzyl ester tosylate; Benzyl L-leucinate p-toluenesulfonate; Benzyl L-leucinate tosylate; L-Leucine benzyl ester p-toluenesulfonate; L-Leucine benzyl ester tosylate; Leucine benzyl ester,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	393.161g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	393.498g/mol
Monoisotopic Mass	393.161g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	115A^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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