AG0022OX

181128-48-3 | Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2S)-

AG0022OX

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CAS Number	181128-48-3
Catalog Number	AG0022OX(AGN-PC-0QBYZE)
Chemical Name	Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2S)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4,4-trifluorobutanoic acid
InChI	InChI=1S/C19H16F3NO4/c20-19(21,22)9-16(17(24)25)23-18(26)27-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,23,26)(H,24,25)/t16-/m0/s1
InChI Key	CHNDOSLXDQUFJI-INIZCTEOSA-N
MDL Number	MFCD08532485
Molecular Formula	C19H16F3NO4
Molecular Weight	379.3298
SMILES	O=C([C@H](CC(F)(F)F)NC(OCC1C2=C(C=CC=C2)C3=C1C=CC=C3)=O)O
Synonyms	181128-48-3, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4,4,4-trifluorobutanoic acid, (S)-Fmoc-2-amino-4,4,4-trifluoro-butyric acid, (L)-4,4,4,-Trifluoro-alpha-homoalanine, N-FMOC protected, C19H16F3NO4, AK-78192, SCHEMBL18614306, ZINC2583159, 4439AH, MFCD08532485, PC5242, AKOS022183392, CS-W020182, FCH2819995, AJ-43190, DS-17292, A-8038, Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4,4-trifluoro-, (2S)-, CHNDOSLXDQUFJI-INIZCTEOSA-N, ACN-043336, (S)-Fmoc-2-amino-4,4,4-trifluorobutyric acid, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4,4,4-trifluorobutanoic acid, 97% - 1G 1g,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	379.103g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	379.335g/mol
Monoisotopic Mass	379.103g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

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