AG00G7PQ

81659-82-7 | Boc-Glu(Osu)-Otbu

AG00G7PQ

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CAS Number	81659-82-7
Catalog Number	AG00G7PQ(AGN-PC-0UKI70)
Chemical Name	Boc-Glu(Osu)-Otbu
IUPAC Name	1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
InChI	InChI=1S/C18H28N2O8/c1-17(2,3)26-15(24)11(19-16(25)27-18(4,5)6)7-10-14(23)28-20-12(21)8-9-13(20)22/h11H,7-10H2,1-6H3,(H,19,25)/t11-/m0/s1
InChI Key	ZZGDWIAZPUAPHR-NSHDSACASA-N
MDL Number	MFCD00236848
Molecular Formula	C18H28N2O8
Molecular Weight	400.4235
SMILES	O=C(OC(C)(C)C)[C@@H](NC(OC(C)(C)C)=O)CCC(ON1C(CCC1=O)=O)=O
Synonyms	Boc-Glu(Osu)-Otbu, 81659-82-7, SCHEMBL16923606, DTXSID30562666, KM2091, MFCD00236848, ZINC71788031, AKOS015999064, AS-49063, AX8228927, ST2406722, 1-tert-Butyl 5-(2,5-dioxopyrrolidin-1-yl) N-(tert-butoxycarbonyl)-L-glutamate, 5-(2,5-Dioxo-1-pyrrolidinyl) 1-(2-methyl-2-propanyl) N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-glutamate,

Complexity	629
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	400.185g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	400.428g/mol
Monoisotopic Mass	400.185g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	128A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340
UN Code

Certificate of Analysis

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