CAS 198561-04-5 | L-Phenylalanine, 4-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- | CAS Number 198561-04-5

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198561-04-5 | L-Phenylalanine, 4-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

CAS No: 198561-04-5 Catalog No: AG002BMM MDL No:MFCD00273460

Product Description

Catalog Number:

AG002BMM

Chemical Name:

L-Phenylalanine, 4-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

CAS Number:

198561-04-5

Molecular Formula:

C24H20BrNO4

Molecular Weight:

466.3239

MDL Number:

MFCD00273460

IUPAC Name:

(2S)-3-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

InChI:

InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)13-22(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:

TVBAVBWXRDHONF-QFIPXVFZSA-N

SMILES:

O=C(N[C@H](C(=O)O)Cc1ccc(cc1)Br)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:

584

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

465.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

466.331g/mol

Monoisotopic Mass:

465.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501