AG000MKL

1246651-90-0 | Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, (3S)-

AG000MKL

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CAS Number	1246651-90-0
Catalog Number	AG000MKL(AGN-PC-0WAMKZ)
Chemical Name	Pentanedioic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester, (3S)-
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
InChI	InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)13-15(12-21(26)27)25-23(29)30-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,27)/t15-/m0/s1
InChI Key	XXXSUGLINJXRGT-HNNXBMFYSA-N
MDL Number	MFCD04974452
Molecular Formula	C24H27NO6
Molecular Weight	425.4743
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC(OC(C)(C)C)=O
Synonyms	(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid, 1246651-90-0, Fmoc-beta-Homoasp(OtBu)-OH, AK-89146, Fmoc-D-beta-HoAsp(OtBu)-OH, Fmoc-D-|A-HoAsp(OtBu)-OH, Fmoc-D-Homo-Aspartic acid [OtBu], KS-00000J3E, ZINC2541680, CF-324, MFCD04974452, AKOS015911969, AC-22069, DS-18581, AX8274024, CS-0060980, I14-3556, (3S)-3-(9H-Fluorene-9-ylmethoxycarbonylamino)pentanedioic acid 5-tert-butyl ester, Fmoc-beta-Glu(OtBu)-OH, Fmoc-L-beta-glutamic acid 5-tert-butyl ester, 209252-17-5,

Complexity	635
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	10
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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