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Fmoc-5-bromo-2-methoxy-L-phenylalanine

HCID 46737405
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Basic information

CAS
220497-51-8
Standard SMILES
COc1ccc(Br)cc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
QIIKXJDEJNMZBK-QFIPXVFZSA-N
Molecular formula
C25H22BrNO5
Average molar mass
496.3 g/mol
Monoisotopic mass
495.06814

Names & identifiers

Preferred name
Fmoc-5-bromo-2-methoxy-L-phenylalanine
IUPAC
(2S)-3-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
English name
(S)-N-FMOC-(5-BROMO-2-METHOXYPHENYL)ALANINE
Molecular formula
C25H22BrNO5
Molecular weight
496.35

Names & synonyms

Fmoc-5-bromo-2-methoxy-L-phenylalanine220497-51-8N-Fmoc-5-bromo-2-methoxy-L-phenylalanine5-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methoxy-L-phenylalanineMFCD01311746(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-bromo-2-methoxyphenyl)propanoic acidC25H22BrNO5(2S)-3-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acidDTXSID001154115AKOS015837104CS-0333577F79859
Show more names
(S)-N-FMOC-(5-BROMO-2-METHOXYPHENYL)ALANINEL-Phenylalanine, 5-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methoxy-(2S)-3-(5-bromo-2-methoxyphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
F7311573-Bromo-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-6-methoxy-L-phenylalanine(2S)-3-(5-bromo-2-methoxy-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-bromo-2-methoxyphenyl)propanoicacid

Database identifiers

CAS
220497-51-8
PubChem CID
46737405
DTXSID
DTXSID001154115

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
638

Physicochemical properties

HazardClass
IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_class
IRRITANT

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