AG00BZTA

32886-40-1 | Boc-Glu(OBzl)-OSu

AG00BZTA

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CAS Number	32886-40-1
Catalog Number	AG00BZTA(AGN-PC-0R89IY)
Chemical Name	Boc-Glu(OBzl)-OSu
IUPAC Name	5-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
InChI	InChI=1S/C21H26N2O8/c1-21(2,3)30-20(28)22-15(19(27)31-23-16(24)10-11-17(23)25)9-12-18(26)29-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,22,28)/t15-/m0/s1
InChI Key	XVJBCWSNHLGDLQ-HNNXBMFYSA-N
MDL Number	MFCD00037914
Molecular Formula	C21H26N2O8
Molecular Weight	434.4397
SMILES	CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)ON1C(=O)CCC1=O
Synonyms	BOC-GLU(OBZL)-OSU, 32886-40-1, Boc-L-Glu(Bzl)-OSu, Boc-Glu(OBzl)Su, Boc-L-Glu(OBzl)OSu, CTK8F8287, XVJBCWSNHLGDLQ-HNNXBMFYSA-N, 6360AH, MFCD00037914, ZINC71788018, AKOS027327987, CB-1668, ACM32886401, AS-49061, FT-0772552, K-7606, C-48440, (S)-5-benzyl 1-(2,5-dioxopyrrolidin-1-yl) 2-(tert-butoxycarbonylamino)pentanedioate, N-alpha-t-Butyloxycarbonyl-L-glutamic acid alpha-succinimidyl gamma-benzyl ester, Boc-Glu(OBzl)?OSu, C21H26N2O8,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	434.169g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	434.445g/mol
Monoisotopic Mass	434.169g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	128A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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