AG00BCIK

220497-81-4 | Fmoc-d-3-bromophenylalanine

AG00BCIK

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CAS Number	220497-81-4
Catalog Number	AG00BCIK(AGN-PC-0QYLY7)
Chemical Name	Fmoc-d-3-bromophenylalanine
IUPAC Name	(2R)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C24H20BrNO4/c25-16-7-5-6-15(12-16)13-22(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-/m1/s1
InChI Key	CALGTIKYXVBTAO-JOCHJYFZSA-N
MDL Number	MFCD01311771
Molecular Formula	C24H20BrNO4
Molecular Weight	466.3239
SMILES	O=C(O)[C@@H](CC1=CC=CC(Br)=C1)NC(OCC2C3=CC=CC=C3C4=CC=CC=C24)=O
Synonyms	220497-81-4, Fmoc-3-bromo-D-phenylalanine, Fmoc-D-phe(3-Br)-OH, Fmoc-D-3-Bromophenylalanine, Fmoc-D-3-Bromophe, Fmoc-3-Bromo-D-Phenylalanin, (R)-N-Fmoc-3-Bromophenylalanine, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-bromophenyl)propanoic acid, Cbz-D-3-Br-Phe-OH, CTK8C5106, DTXSID00426504, (2R)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, ZINC2243701, AC-458, ANW-74141, CF-240, MFCD01311771, AKOS015837453, AM82714, RTR-010379, Fmoc-D-3-bromophenylalanine, AldrichCPR, AJ-34378, BC225178, PS-12771, Q522, SC-10518, AX8001626, TR-010379, FT-0644033, A-7708, 497C814, C-22651, 3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine, 3-Bromo-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-phenylalanine, (2R)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (2R)-3-(3-bromophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, (2R)-3-(3-bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(3-bromophenyl)propanoic acid, C24H20BrNO4, Fmoc-D-2-Bromophenylalanine, -N-Fmoc-3-Bromophenylalanine, CID7006561, (2S)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)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	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	5.3

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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