AG0031OV

30925-18-9 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester

AG0031OV

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CAS Number	30925-18-9
Catalog Number	AG0031OV(AGN-PC-0R6CDM)
Chemical Name	L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
InChI	InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(9-13(18)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChI Key	LDRWTKQWSXGSTM-LBPRGKRZSA-N
MDL Number	MFCD00065563
Molecular Formula	C16H21NO6
Molecular Weight	323.3410
SMILES	[C@H](C(=O)OCc1ccccc1)(NC(=O)OC(C)(C)C)CC(=O)O
Synonyms	Boc-Asp-OBzl, t-butyloxycarbonylaspartic acid alpha-benzyl ester, Boc-Asp-OBzl, 30925-18-9, Boc-L-aspartic acid 1-benzyl ester, MFCD00065563, 1-Benzyl N-Boc-L-aspartate, J-300071, Q-101795, N-(tert-Butoxycarbonyl)-L-aspartic Acid 1-Benzyl Ester, (s)-4-(benzyloxy)-3-(tert-butoxycarbonylamino)-4-oxobutanoic acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid, BOC-L-Aspartic acid 1-benzyl ester, 98%, 1-Benzyl N-(tert-Butoxycarbonyl)-L-aspartate, Commericial, (3S)-3-[(tert-butoxy)carbonylamino]-3-[benzyloxycarbonyl]propanoic acid, AK-45990, PubChem12927, Boc-L-Asp(H)-OBn, AC1Q1MRP, BOC-L-ASPARTIC ACID ALPHA-BENZYL ESTER, Boc-aspartic acid benzyl ester, SCHEMBL1093029, KS-00000NIG, DTXSID90426912, LDRWTKQWSXGSTM-LBPRGKRZSA-N, ACT05195, CS-B1295, ZINC2539200, ANW-59149, CB-208, SBB066995, AKOS015924100, FCH3665627, N-Boc-L-aspartic Acid 1-Benzyl Ester, Boc-Asp-OBzl, >=98.0% (TLC), AJ-38806, AS-12266, SC-09379, AB0006099, AB1006968, AX8008508, TC-147894, TL8006451, B2408, FT-0629760, ST24046225, ST50826203, M-1191, M03269, 925B189, A820657, C-19760, N-(t-butoxycarbonyl)-L-aspartic acid 1-benzyl ester, N-(tert-Butoxycarbonyl)aspartic acid 1-benzyl ester, (S)-2-(tert-Butoxycarbonylamino)succinic acid benzyl ester, (S)-2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester, 2(S)-tert-butoxycarbonylaminosuccinic acid 1-benzyl ester, (2S)-2-tert-Butoxycarbonylamino-succinic acid 1-benzyl ester, (2S)-2-tert-butoxycarbonylamino-succinic acid-1-benzyl ester, N-alpha-t-Butyloxycarbonyl-L-aspartic acid alpha-benzyl ester, Boc-Asp-Obzl; N-tert-Butoxycarbonyl-L-aspartic acid 1-benzyl ester, (3S)-4-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid, (3S)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid, (S)-4-(benzyloxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid, (3S)-3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-oxo-4-[(phenylmethyl)oxy]butanoic acid, (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-phenylmethoxybutanoic acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid, C16H21NO6, ACN-033047, CB11672, CID7017887, A7728, Boc-L-aspartic acid 1-benzyl ester, 98% - 1G 1g, 2-tert-Butoxycarbonylamino-succinic acid 1-benzyl ester, L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester, (S)-2-(tert-Butoxycarbonylamino)succinic acid benzyl ester; N-(tert-Butoxycarbonyl)aspartic acid 1-benzyl ester,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	323.137g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	323.345g/mol
Monoisotopic Mass	323.137g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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