AG007PZ8

220497-68-7 | Fmoc-(s)-3-amino-3-(4-bromo-phenyl)-propionic acid

AG007PZ8

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CAS Number	220497-68-7
Catalog Number	AG007PZ8(AGN-PC-0QYLW5)
Chemical Name	Fmoc-(s)-3-amino-3-(4-bromo-phenyl)-propionic acid
IUPAC Name	(3S)-3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChI Key	GVCLAQFMSVKNKH-QFIPXVFZSA-N
MDL Number	MFCD01311760
Molecular Formula	C24H20BrNO4
Molecular Weight	466.3239
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=CC=C(Br)C=C4
Synonyms	220497-68-7, Fmoc-(S)-3-Amino-3-(4-bromo-phenyl)-propionic acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid, (S)-N-Fmoc-3-Amino-3-(4-bromophenyl)propanoic acid, Fmoc-?-Phe(4-Br)-OH, PubChem17340, Fmoc-(R)-3-Amino-3-(4-bromophenyl)-propionic acid, AC1MC173, SCHEMBL3725037, (3S)-3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, ZINC2574678, CF-394, MFCD01311760, AKOS016843719, AB08470, AC-22021, ACM220497687, AJ-42258, BBV-38260312, PS-12385, AX8019437, RT-012833, FT-0687217, TL80073831, V1039, C24H20BrNO4, GVCLAQFMSVKNKH-QFIPXVFZSA-N, ACN-025968, CID2734464, FMOC- -3-AMINO-3- -PROPIONICACID, Fmoc-(S)-3-amino-3-(4-bromophenyl)propionic acid, Fmoc-S-3-Amino-3-(4-bromo-phenyl)-propionic acid, 220498-04-4, 3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid, BENZENEPROPANOIC ACID, 4-BROMO-BETA-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-, (BETAS)-,

Complexity	584
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	465.058g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	466.331g/mol
Monoisotopic Mass	465.058g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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