AG000DJM

117014-32-1 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(9H-fluoren-9-ylmethyl) ester

AG000DJM

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CAS Number	117014-32-1
Catalog Number	AG000DJM(AGN-PC-0P9V89)
Chemical Name	L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(9H-fluoren-9-ylmethyl) ester
IUPAC Name	(2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI	InChI=1S/C23H25NO6/c1-23(2,3)30-22(28)24-19(21(26)27)12-20(25)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m0/s1
InChI Key	NHLRMCFWGFPSLT-IBGZPJMESA-N
MDL Number	MFCD00076916
Molecular Formula	C23H25NO6
Molecular Weight	411.4477
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Synonyms	BA-gamma-FME, N-alpha-tert-butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester, Nalpha-Boc-Asp-gamma-fluorenylmethyl ester, Boc-Asp(Ofm)-OH, 117014-32-1, (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid, Boc-L-Aspartic acid beta-9-fluorenylmethyl ester, N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester, J-502455, BA-gamma-Fme, (2S)-2-[(tert-butoxycarbonyl)amino]-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid, AK170011, L-Aspartic acid, N-((1,1-dimethylethoxy)carbonyl)-, 4-(9H-fluoren-9-ylmethyl) ester, Nalpha-Boc-asp-gamma-fluorenylmethyl ester, AC1Q5XNH, AC1L4U1C, (2s)-2-[(tert-butoxycarbonyl)amino]-4-(9h-fluoren-9-ylmethoxy)-4-oxobutanoic acid(non-preferred name), SCHEMBL8350968, DTXSID50151672, NHLRMCFWGFPSLT-IBGZPJMESA-N, KS-00000K9O, ZINC2554989, 9772AC, MFCD00076916, AKOS015838052, AKOS015893272, CB-1661, RP17216, SS-4125, AB1006970, TR-031778, CS-0040952, FT-0682033, Boc-L-aspartic acid b-9-fluorenylmethyl ester, 014B321, C-54790, I04-3875, tertbutoxycarbonylaminofluorenylmethoxyoxobutanoicacid, N-|A-tert-Butyloxycarbonyl-asparticacidgamma-fluorenylmethyl ester, N-(tert-Butyloxycarbonyl)-L-aspartic acid 4-(9H-fluorene-9-ylmethyl) ester, (S)-4-((9H-fluoren-9-yl)methoxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid, (S)-4-((9H-fluoren-9-yl)methoxy)-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid, L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-(9H-fluoren-9-ylmethyl) ester, (2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid, C23H25NO6, KST-1A1184, Boc-Asp(Ofm)-OH - 25G 25g, AR-1A3188, C23-H25-N-O6, CID164019, ACN-033051, Boc-L-asparticacidss-9-fluorenylmethylester, A7732, 13613-39-3, Boc-L-aspartic acid b-9-fluorenylmethyl ester; N-a-tert-butyloxycarbonyl-asparticacid r-fluorenylmethylester,

Complexity	620
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	411.168g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	411.454g/mol
Monoisotopic Mass	411.168g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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