AG002COD

200334-95-8 | D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)

AG002COD

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CAS Number	200334-95-8
Catalog Number	AG002COD(AGN-PC-0QRAW2)
Chemical Name	D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)
IUPAC Name	N-cyclohexylcyclohexanamine;(2R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI	InChI=1S/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m1./s1
InChI Key	OMYRDWOMNDCKEJ-DDWIOCJRSA-N
MDL Number	MFCD00076911
Molecular Formula	C25H46N2O6
Molecular Weight	470.6425
SMILES	O=C(OC(C)(C)C)C[C@H](C(O)=O)NC(OC(C)(C)C)=O.C1(NC2CCCCC2)CCCCC1
Synonyms	200334-95-8, Boc-D-Asp(OtBu)-OH DCHA, Boc-d-asp(otbu)-oh.dcha, Dicyclohexylamine (R)-4-(tert-butoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate, Boc-D-Asp(OtBu)-OH . DCHA, DTXSID50679346, C25H46N2O6, 0303AB, EiM17-03065, MFCD00076911, AKOS016002241, ACM200334958, AX8117944, FT-0629742, FT-0688935, ST24046500, K-5855, C-54789, Boc-D-Asp(OtBu)-OH inverted exclamation mark currencyDCHA, dicyclohexylamine (R)-4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoate, (2R)-4-tert-Butoxy-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid--N-cyclohexylcyclohexanamine (1/1) (non-preferred name), D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1), BOC-D-ASP -OHDCHA, Boc-D-Asp(OtBu)-OH.DCHA - 1G 1g, A7740, Boc-D-Aspartic acid-beta-T-butyl ester dicyclohexylammonium salt, N-a-t-Boc-D-aspartic acid b-t-butyl ester dicyclohexylammonium salt,

Complexity	493
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	470.336g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	470.651g/mol
Monoisotopic Mass	470.336g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	114A^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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