AG008Z96

1072845-47-6 | FMoc-α-Me-Asp(OtBu)-OH

AG008Z96

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CAS Number	1072845-47-6
Catalog Number	AG008Z96(AGN-PC-0WBOJ1)
Chemical Name	FMoc-α-Me-Asp(OtBu)-OH
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI	InChI=1S/C24H27NO6/c1-23(2,3)31-20(26)13-24(4,21(27)28)25-22(29)30-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,13-14H2,1-4H3,(H,25,29)(H,27,28)/t24-/m0/s1
InChI Key	STBMKQNEFSJOCS-DEOSSOPVSA-N
MDL Number	MFCD12031692
Molecular Formula	C24H27NO6
Molecular Weight	425.4743
SMILES	O=C(O)[C@@](C)(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC(OC(C)(C)C)=O
Synonyms	1072845-47-6, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-2-methyl-4-oxobutanoic acid, (S)-Fmoc-2-amino-2-methyl-succinic acid-4-tert-butyl ester, (S)-N-Fmoc-alpha-methylaspartic acid -4-(tert-butyl) ester, AK199034, FMoc-alpha-Me-Asp(OtBu)-OH, SCHEMBL18614222, 4438AH, MFCD12031692, ZINC44460274, AKOS026674334, DS-9972, A-8621, J-001750, C24H27NO6,

Complexity	664
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	425.184g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	425.481g/mol
Monoisotopic Mass	425.184g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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