CAS 71989-18-9|(2S)-5-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid|N-α-FMOC-L-GLUTAMIC ACID-γ-t-BUTYL ESTER|Fmoc-L-glutamic acid 5-tert-butyl ester|Fmoc-...

General Information

Structure

Molecular Formula

C₂₄H₂₇NO₆

Molecular Mass

425.47428

Exact Mass

425.18383759

Charge

InChI

InChI=1S/C24H27NO6/c1-24(2,3)31-21(26)13-12-20(22(27)28)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,27,28)/t20-/m0/s1

InChIKey

OTKXCALUHMPIGM-FQEVSTJZSA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)CCC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)O

Calculated Properties

JChem

Acid pKa

3.800272

H Acceptors

H Donor

LogD (pH = 5.5)

2.1900873

LogD (pH = 7.4)

0.6297624

Log P

3.89202

Molar Refractivity

113.9422

Polarizability

45.81322

Polar Surface Area

101.93

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-5-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

Synonyms

N-α-FMOC-L-GLUTAMIC ACID-γ-t-BUTYL ESTERFmoc-L-glutamic acid 5-tert-butyl esterFmoc-Glu(OtBu)-OHFmoc-Glu(OtBu)-OH芴甲氧羰基-L-谷氨酸 5-叔丁酯(2S)-5-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

IUPAC name

(2S)-5-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-oxopentanoic acid

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID