AG00I9WE

5545-52-8 | L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester

AG00I9WE

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CAS Number	5545-52-8
Catalog Number	AG00I9WE(AGN-PC-0SJ4IZ)
Chemical Name	L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester
EC Number	226-912-0
IUPAC Name	(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C16H21NO6/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChI Key	HLSLRFBLVZUVIE-LBPRGKRZSA-N
MDL Number	MFCD00042857
Molecular Formula	C16H21NO6
Molecular Weight	323.3410
SMILES	C(OC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
Synonyms	Z-Asp(OtBu)-OH, 5545-52-8, N-Cbz-L-aspartic acid 4-tert-butyl ester, Cbz-L-aspartic acid 4-tert-butyl ester, Cbz-L-Aspartic 4-tert-butyl ester, MFCD00042857, (S)-2-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid, N-Benzyloxycarbonyl-L-aspartic acid 4-tert-butyl ester, Z-L-Aspartic acid 4-tert-butyl ester, 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate, W-105562, Z-Asp(OtBu)-OH.H2O, (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid, Cbz-Asp(OBut)-OH, z-asp(otbu)-oh.dcha, EINECS 226-912-0, Cbz-Asp(O-t-Bu), PubChem12955, Z-Asp(O-tBu)-OH, Z-L-Asp(OtBu)-OH, AC1Q5XJX, Z-Asp(OtBu)-OH?2O, l-aspartic acid, n-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, AC1L38YK, SCHEMBL1143898, CTK3J7291, DTXSID90204015, HLSLRFBLVZUVIE-LBPRGKRZSA-N, ZINC2391156, CZ-026, AKOS015889943, AKOS015924110, RTR-019549, N-Cbz-aspartic acid 4-tert-butyl ester, AJ-35733, AK-43985, AS-11713, BBV-46767248, BC678171, AB0001017, AX8021432, DB-030162, TL8006551, TR-019549, Z-Asp(OtBu)-OH, >=98.0% (TLC), FT-0629768, ST24033345, M-1190, M03044, 545Z528, I01-4498, N-(Benzyloxycarbonyl)-3-(tert-butoxycarbonyl)-L-alanine, (S)-2-Benzyloxycarbonylamino-succinic acid 4-tert-butyl ester, (s)-2-benzyloxycarbonylamino-succinic acid-4-tert-butyl ester, (S)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxobutanoic acid, L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester, L-Aspartic acid,N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, Z-Asp-OtBu, C16H21NO6, AR-1J3032, C16-H21-N-O6, CID111082, ACN-033062, A6989, A6990, A6993, Z-Asp(OtBu)-OH inverted exclamation mark currencyH2O, Z-L-Aspartic acid-4-tert-butyl ester, 98% - 1G 1g, 4-tert-butyl hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate, Aspartic acid, N-carboxy-, N-benzyl 4-tert-butyl ester, L-, Z-L-Aspartic acid beta-tert inverted exclamation mark currencybutyl ester monohydrate, 23632-70-4, 5703-21-9,

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 statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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