AG008YFS

118247-88-4 | Z-BETA-GLU(OTBU)-OH

AG008YFS

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CAS Number	118247-88-4
Catalog Number	AG008YFS(AGN-PC-0PBOIE)
Chemical Name	Z-BETA-GLU(OTBU)-OH
IUPAC Name	(3S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
InChI	InChI=1S/C17H23NO6/c1-17(2,3)24-15(21)10-13(9-14(19)20)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
InChI Key	ZWLHJIDBOFBLGR-ZDUSSCGKSA-N
MDL Number	MFCD06201022
Molecular Formula	C17H23NO6
Molecular Weight	337.3676
SMILES	O=C(O)C[C@H](NC(OCC1=CC=CC=C1)=O)CC(OC(C)(C)C)=O
Synonyms	(S)-3-(((Benzyloxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid, 118247-88-4, AK162673, (3S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid, MFCD06201022, ZINC34212907, AKOS024462368, ACN-026284, DS-7897, AX8294735, Z-beta-Glu(OtBu)-OH,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	337.153g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	337.372g/mol
Monoisotopic Mass	337.153g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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