AG0034XP

220497-48-3 | Fmoc-3-bromo-L-phenylalanine

AG0034XP

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CAS Number	220497-48-3
Catalog Number	AG0034XP(AGN-PC-0QYLQF)
Chemical Name	Fmoc-3-bromo-L-phenylalanine
IUPAC Name	(2S)-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-/m0/s1
InChI Key	CALGTIKYXVBTAO-QFIPXVFZSA-N
MDL Number	MFCD01311744
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	220497-48-3, Fmoc-3-bromo-L-phenylalanine, FMOC-PHE(3-BR)-OH, (s)-n-fmoc-3-bromophenylalanine, Fmoc-L-3-Bromophenylalanine, (2S)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid, FMOC-L-3-BROMOPHE, J-300374, AC1MC15U, FMOC-L-3-BR-PHE-OH, Jsp004480, SCHEMBL18301540, CTK8C5099, DTXSID00370316, fmoc-phe(3-br)-oh, AldrichCPR, ZINC2243677, ANW-74132, CF-239, MFCD01311744, AKOS015837233, AKOS015895729, AB08465, AC-9635, AM82713, FL524-1, RTR-010372, AJ-34367, AK-81212, AN-29580, AS-15746, BC225179, Q521, SC-10517, AX8001630, TR-010372, FT-0644030, ST24047221, A-8738, 497F483, C-22650, 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine, (2S)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (2S)-3-(3-bromophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, (2S)-3-(3-bromophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-bromophenyl)propanoic acid, (S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(3-BROMOPHENYL)PROPANOIC ACID, Fmoc-D-phe(3-Br)-OH, C24H20BrNO4, Fmoc-D-3-Bromophenylalanine, CID2734448, 220497-81-4,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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