AG002BRB

198828-72-7 | D-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)

AG002BRB

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CAS Number	198828-72-7
Catalog Number	AG002BRB(AGN-PC-0QQ5DK)
Chemical Name	D-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
IUPAC Name	N-cyclohexylcyclohexanamine;(2R)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C21H25NO5.C12H23N/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2/t18-;/m1./s1
InChI Key	FDNJRKLIHBJXIR-GMUIIQOCSA-N
MDL Number	MFCD00065702
Molecular Formula	C33H48N2O5
Molecular Weight	552.7446
SMILES	O=C(O)[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)NC(OCC2=CC=CC=C2)=O.C3(NC4CCCCC4)CCCCC3
Synonyms	198828-72-7, z-d-tyr(tbu)-oh.dcha, Z-D-Tyr(tBu)-OH DCHA, Z-D-Tyr(But)-OH dcha, MFCD00065702, Dicyclohexylamine (R)-2-(((benzyloxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoate, Z-Tyr(tBu)-OH dicyclohexylammonium salt, AK-61072, AK-81322, Z-D-Tyr(tBu)-OHCHA, Z-D-Tyr(tBu)-OH?CHA, DTXSID90692817, KS-00000JA3, KS-00000KF8, 0217AB, CZ-133, AKOS015910989, VA50021, DS-16197, AX8032505, FT-0643853, ST24046496, K-5816, 828Z727, C-25120, I14-39006, N-alpha-Benzyloxycarbonyl-O-t-butyl-D-tyrosine dicyclohexylamine, dicyclohexylamine (R)-2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoate, N-[(Benzyloxy)carbonyl]-O-tert-butyl-D-tyrosine--N-cyclohexylcyclohexanamine (1/1), N^a-Benzyloxycarbonyl-O-tert-butyl-D-tyrosine dicyclohexylammonium salt, 98%, Z-O-tert inverted exclamation mark currencybutyl-D-tyrosinedicyclohexylaminesalt, D-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI), Z-Tyr(tBu)-OH.DCHA, FDNJRKLIHBJXIR-GMUIIQOCSA-N, C33H48N2O5, Z-D-Tyr(tBu)-OH.DCHA - 5G 5g, Z-O-tertutyl-D-tyrosinedicyclohexylaminesalt, A6931, 16879-90-6,

Complexity	590
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	552.356g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	552.756g/mol
Monoisotopic Mass	552.356g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	96.9A^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

Lot Number