AG00DEDK

507472-14-2 | Fmoc-(s)-3-amino-3-(3-fluoro-phenyl)-propionic acid

AG00DEDK

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CAS Number	507472-14-2
Catalog Number	AG00DEDK(AGN-PC-0OBECL)
Chemical Name	Fmoc-(s)-3-amino-3-(3-fluoro-phenyl)-propionic acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluorophenyl)propanoic acid
InChI	InChI=1S/C24H20FNO4/c25-16-7-5-6-15(12-16)22(13-23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChI Key	ZZERQNLGPZUNLM-QFIPXVFZSA-N
MDL Number	MFCD03427994
Molecular Formula	C24H20FNO4
Molecular Weight	405.4183
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=CC=CC(F)=C4
Synonyms	507472-14-2, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-fluorophenyl)propanoic acid, Fmoc-(S)-3-Amino-3-(3-fluoro-phenyl)-propionic acid, Fmoc-(S)-3-amino-3-(3-fluorophenyl)propionic acid, Fmoc-?-Phe(3-F)-OH, AC1ODZNY, Fmoc-b-Phe(3-F)-OH, CTK4J3106, DTXSID90427505, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluorophenyl)propanoic acid, ZINC2585884, MFCD03427994, AB15314, CF-1213, AC-25391, ACM507472142, AJ-43640, AK114960, BBV-38260449, PS-12363, AX8130776, RT-012828, FT-0771332, ST24036052, TL80073782, Z5899, A-8417, Fmoc- S-3-Amino-3-(3-fluoro-phenyl)-propionic acid, Fmoc-(S)-3-Amino-3-(3-fluorophenyl)-propionic acid, (3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-(3-fluorophenyl)propanoic acid, (3S)-3-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]-3-(3-FLUOROPHENYL)PROPANOIC ACID, C24H20FNO4, ACN-026238, CID7023375, FMOC- -3-AMINO-3- -PROPIONICACID, Fmoc-S-3-Amino-3-(3-Fluoro-phenyl)-propionic acid, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluorophenyl)propanoic Acid,

Complexity	592
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	405.138g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	405.425g/mol
Monoisotopic Mass	405.138g/mol
Rotatable Bond Count	7
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

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