AG006AEE

97984-63-9 | D-Tyrosine benzyl ester 4-toluenesulfonate salt

AG006AEE

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CAS Number	97984-63-9
Catalog Number	AG006AEE(AGN-PC-0W7RMC)
Chemical Name	D-Tyrosine benzyl ester 4-toluenesulfonate salt
IUPAC Name	benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C16H17NO3.C7H8O3S/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,15,18H,10-11,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m1./s1
InChI Key	PJGVHBLZZQDFFM-XFULWGLBSA-N
MDL Number	MFCD00136658
Molecular Formula	C23H25NO6S
Molecular Weight	443.5127
SMILES	O=C(OCC1=CC=CC=C1)[C@H](N)CC2=CC=C(O)C=C2.O=S(C3=CC=C(C)C=C3)(O)=O
Synonyms	97984-63-9, (R)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate 4-methylbenzenesulfonate, D-Tyrosine benzyl ester 4-toluenesulfonate salt, H-D-Tyr-OBzl p-tosylate, AK162639, H-D-Tyr-OBzl TosOH, SCHEMBL12615481, C16H17NO3.C7H8O3S, D-TYROSINE-OBZL P-TOSYLATE, KS-00000G4B, KM3456, MFCD00136658, AKOS015905821, DS-7888, AX8127020, FT-0699278, ST24035521, Z6016, (R)-BENZYL2-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE4-METHYLBENZENESULFONATE, D-TYROSINE-OBZLP-TOSYLATE, PJGVHBLZZQDFFM-XFULWGLBSA-N, ACN-026244, D-Tyrosine, phenylmethyl ester, 4-methylbenzenesulfonate (salt) (9CI),

Complexity	500
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	443.14g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	443.514g/mol
Monoisotopic Mass	443.14g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	135A^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

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