AG00IHCU

92828-64-3 | D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl)ester

AG00IHCU

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CAS Number	92828-64-3
Catalog Number	AG00IHCU(AGN-PC-0W1RCU)
Chemical Name	D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl)ester
IUPAC Name	(3R)-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-/m1/s1
InChI Key	LDRWTKQWSXGSTM-GFCCVEGCSA-N
MDL Number	MFCD00038264
Molecular Formula	C16H21NO6
Molecular Weight	323.3410
SMILES	O=C(O)C[C@H](C(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
Synonyms	Boc-D-Asp-OBzl, 92828-64-3, (R)-4-(BENZYLOXY)-3-((TERT-BUTOXYCARBONYL)AMINO)-4-OXOBUTANOIC ACID, MFCD00038264, J-300082, Q-101674, (3R)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid, AK-44142, AC1Q1MTJ, SCHEMBL5033775, D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester, CTK7I5274, KS-00000JRR, (R)-2-tert-Butoxycarbonylaminosuccinic acid 1-benzyl ester, DTXSID30471926, LDRWTKQWSXGSTM-GFCCVEGCSA-N, Boc-D-aspartic acid a-benzyl ester, CS-B1296, ZINC4534298, Boc-D-Aspartic acid-1-benzyl ester, Boc-D-aspartic acid |A-benzyl ester, AKOS015891328, AM81598, BOC-D-ASPARTIC ACID BENZYLESTER, CB-1659, FCH3593639, AJ-51590, DS-14396, AB0032456, AX8023146, FT-0686527, ST24024684, X5762, M-8185, I01-9778, N-(tert-Butoxycarbonyl)-D-aspartic acid 1-benzyl ester, (3R)-4-(benzyloxy)-3-[(tert-butoxycarbonyl)amino]-4-oxobutyric acid, D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl)ester, Boc-Asp-OBzl, Boc-D-Asp(OBzl)-OH, BOC-D-ASP -OH, Boc-D-Asp-OBzl - 5G 5g, C16H21NO6, CID11759109, A7737,

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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