AG002DG3

201472-68-6 | Boc-Dap(Boc)-OH Dcha

AG002DG3

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CAS Number	201472-68-6
Catalog Number	AG002DG3(AGN-PC-0QS6E9)
Chemical Name	Boc-Dap(Boc)-OH Dcha
IUPAC Name	(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;N-cyclohexylcyclohexanamine
InChI	InChI=1S/C13H24N2O6.C12H23N/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(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,15,19)(H,16,17);11-13H,1-10H2/t8-;/m0./s1
InChI Key	DPWKLGZKZRIVIE-QRPNPIFTSA-N
MDL Number	MFCD00238311
Molecular Formula	C25H47N3O6
Molecular Weight	485.6572
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CNC(OC(C)(C)C)=O.C1(NC2CCCCC2)CCCCC1
Synonyms	201472-68-6, Boc-Dap(Boc)-OH.DCHA, BOC-DAP(BOC)-OH DCHA, Boc-Dap(Boc)-OH (dicyclohexylammonium) salt, MFCD00238311, N-alpha,N-beta-di-Boc-L-2,3-diaminopropionic acid dicyclohexylamine salt, C13H24N2O6.C12H23N, AK170058, Boc-Dap(Boc)-OH?CHA, Boc-Dap(Boc)-OH?DCHA, SCHEMBL3709453, CTK8E6952, KS-00000KFI, DTXSID10584987, DPWKLGZKZRIVIE-QRPNPIFTSA-N, ACT10347, BCP14667, 6308AH, AKOS025289361, DS-9746, Boc-Dap(Boc)-OH dicyclohexylammonium salt, RT-011743, FT-0697960, K-5899, 472B686, J-013052, Boc-3-(Boc-amino)-L-alanine (dicyclohexylammonium) salt, Boc-Dap(Boc)-OH inverted exclamation mark currencyDCHA, Boc-Dap(Boc)-OH (dicyclohexylammonium) salt, >=95.0% (HPLC), dicyclohexylamine (S)-2,3-bis(tert-butoxycarbonylamino)propanoate, N|A,N|A-Di-Boc-L-2,3-diaminopropionic acid (dicyclohexylammonium) salt, N-(tert-butoxycarbonyl)-3-((tert-butoxycarbonyl)amino)-L-alanine N,N-dicyclohexylamine salt, N-alpha,N-beta-Bis-t-butyloxycarbonyl-L-2,3-diaminopropionic acid dicyclohexylamine, L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1), N-(tert-Butoxycarbonyl)-3-[(tert-butoxycarbonyl)amino]-L-alanine--N-cyclohexylcyclohexanamine (1/1), N-[(tert-Butoxy)carbonyl]-3-[[(tert-Butoxy)carbonyl]amino]-L-alanine compd. with N-cyclohexylcyclohexanamine, BOC-DAP -OHDCHA,

Complexity	511
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	485.346g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	485.666g/mol
Monoisotopic Mass	485.346g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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