AG002UGJ

276869-41-1 | Octanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 8-(1,1-dimethylethyl) ester, (2S)-

AG002UGJ

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CAS Number	276869-41-1
Catalog Number	AG002UGJ(AGN-PC-0R3FM1)
Chemical Name	Octanedioic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 8-(1,1-dimethylethyl) ester, (2S)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
InChI	InChI=1S/C27H33NO6/c1-27(2,3)34-24(29)16-6-4-5-15-23(25(30)31)28-26(32)33-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22-23H,4-6,15-17H2,1-3H3,(H,28,32)(H,30,31)/t23-/m0/s1
InChI Key	ULPCAXORIFXUMN-QHCPKHFHSA-N
MDL Number	MFCD00080269
Molecular Formula	C27H33NO6
Molecular Weight	467.5540
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCCCCC(OC(C)(C)C)=O
Synonyms	276869-41-1, Fmoc-Asu(OtBu)-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-8-(tert-butoxy)-8-oxooctanoic acid, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)-amino)-8-(tert-butoxy)-8-oxooctanoic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-8-tert-butoxy-8-oxooctanoic acid, AK-87950, (S)-Fmoc-Asu(OtBu)-OH, Fmoc-(S)-Asu(OtBu)-OH, SCHEMBL16061105, DTXSID80678867, KS-00000LO0, ANW-63201, MFCD00080269, ZINC40186603, AKOS005063575, AKOS016004540, ACN-044425, GS-5421, ACM276869411, AJ-101617, AX8048697, DB-001134, TC-151946, FT-0686772, A-7644, C-54201, J-016859, (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-Octanedioic acid-8-(tert-butyll) ester, (2S)-8-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8-oxooctanoic acid, (2S)-8-tert-Butoxy-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8-oxooctanoic acid, (S)-2-(9H-Fluorene-9-ylmethoxycarbonylamino)octanedioic acid 8-tert-butyl ester, (S)-2-FMOC-AMINO-OCTANEDIOIC ACID 8-TERT-BUTYL ESTER,

Complexity	680
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	467.231g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	467.562g/mol
Monoisotopic Mass	467.231g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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