AG00GWA3

908846-88-8 | Fmoc-5-fluoro-L-tryptophan

AG00GWA3

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CAS Number	908846-88-8
Catalog Number	AG00GWA3(AGN-PC-0WADC7)
Chemical Name	Fmoc-5-fluoro-L-tryptophan
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C26H21FN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m0/s1
InChI Key	GIFXTRKMFUWKHR-DEOSSOPVSA-N
MDL Number	MFCD24842544
Molecular Formula	C26H21FN2O4
Molecular Weight	444.4543
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CNC5=C4C=C(F)C=C5
Synonyms	908846-88-8, Fmoc-5-fluoro-L-tryptophan, (S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-(5-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID, N-fmoc-(s)-5-fluorotryptophan, ZINC2583087, MFCD24842544, SC1112, AKOS027256138, AS-54572, GIFXTRKMFUWKHR-DEOSSOPVSA-N,

Complexity	698
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	444.149g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	444.462g/mol
Monoisotopic Mass	444.149g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	91.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H317
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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