AG00EDL1

59279-58-2 | Boc-Glu(Obzl)-OMe

AG00EDL1

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CAS Number	59279-58-2
Catalog Number	AG00EDL1(AGN-PC-0SRYXZ)
Chemical Name	Boc-Glu(Obzl)-OMe
IUPAC Name	5-O-benzyl 1-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
InChI	InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-14(16(21)23-4)10-11-15(20)24-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChI Key	KHCZTGSAKNZBOV-AWEZNQCLSA-N
MDL Number	MFCD00190792
Molecular Formula	C18H25NO6
Molecular Weight	351.3942
SMILES	[H][C@@](CCC(=O)OCC1=CC=CC=C1)(NC(=O)OC(C)(C)C)C(=O)OC
Synonyms	Boc-Glu(OBzl)-OMe, 59279-58-2, (S)-5-Benzyl 1-methyl 2-((tert-butoxycarbonyl)amino)pentanedioate, J-300096, Q-101684, AK-49960, SCHEMBL2301376, DTXSID40552977, KHCZTGSAKNZBOV-AWEZNQCLSA-N, ZINC2556542, 8817AB, MFCD00190792, AKOS016002058, AJ-39925, DS-15183, AB0072735, AX8034228, FT-0689477, ST24036218, 279B582, 5-Benzyl 1-methyl N-(tert-butoxycarbonyl)-L-glutamate, (S)-5-benzyl 1-methyl 2-(tert-butoxycarbonylamino)pentanedioate, 5-benzyl 1-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioate, (S)-2-tert-Butoxycarbonylamino-pentanedioic acid 5-benzyl ester 1-methyl ester, BOC-GLU -OME, C18H25NO6, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate,

Complexity	451
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	351.168g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	351.399g/mol
Monoisotopic Mass	351.168g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	90.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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