AG00IC63

71449-08-6 | D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester

AG00IC63

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CAS Number	71449-08-6
Catalog Number	AG00IC63(AGN-PC-0TYXG5)
Chemical Name	D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester
IUPAC Name	(2R)-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-/m1/s1
InChI Key	HLSLRFBLVZUVIE-GFCCVEGCSA-N
MDL Number	MFCD00153327
Molecular Formula	C16H21NO6
Molecular Weight	323.3410
SMILES	O=C(OC(C)(C)C)C[C@H](C(O)=O)NC(OCC1=CC=CC=C1)=O
Synonyms	Z-D-Asp(OtBu)-OH, 71449-08-6, N-Cbz-D-aspartic Acid 4-(tert-Butyl) Ester, 1820580-02-6, (R)-2-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid, Z-D-Asp(OtBu)-OH inverted exclamation mark currencyH2O, Cbz-D-aspartic acid 4-tert-butyl ester hydrate, AK163647, N-Benzyloxycarbonyl-D-aspartic acid 4-tert-butyl ester hydrate, Z-D-Asp(OBut)-OH, SCHEMBL2775895, HLSLRFBLVZUVIE-GFCCVEGCSA-N, KS-00000JN9, ZINC2526268, AKOS025117287, CS-W011995, DS-8291, AX8022341, N-(Benzyloxycarbonyl)-3-(tert-butoxycarbonyl)-D-alanine, D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl)ester, Z-D-Asp(OtBu)-O, z-d-asp(otbu)-oh h2o, Z-D-Asp(OtBu)-OH hydrate, Z-D-Asp(OtBu)-OH.H2O, EINECS 226-912-0, ACN-033061, CID7016356, Z-D-Asp(OtBu)-OH.H2O - 5G 5g, (r)-2-(benzyloxycarbonylamino)-4-tert-butoxy-4-oxobutanoic acid hydrate, (R)-2-(((Benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid hydrate, Z-D-Aspartic acid beta-tert inverted exclamation mark currencybutyl ester monohydrate,

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+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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