CAS 188970-92-5|Fmoc-Dap(Alloc)-OH|Nβ-Alloc-Nα-Fmoc-L-2,3-二氨基丙酸|Nα-Fmoc-Nβ-Alloc-L-2,3-diaminopropionic acid|Nβ-烯丙氧基羰基-Nα-Fmoc-L-2,3-二氨基丙酸|(2S)-2-{[(9H-fluoren-9-ylmethoxy)carb...

General Information

Structure

Molecular Formula

C₂₂H₂₂N₂O₆

Molecular Mass

410.41988

Exact Mass

410.14778643

Charge

InChI

InChI=1S/C22H22N2O6/c1-2-11-29-21(27)23-12-19(20(25)26)24-22(28)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1

InChIKey

MPVGCCAXXFLGIU-IBGZPJMESA-N

Canonic Smiles

C=CCOC(=O)NC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

[C@H](CNC(=O)OCC=C)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2

Calculated Properties

JChem

Acid pKa

3.67292

H Acceptors

H Donor

LogD (pH = 5.5)

1.2359469

LogD (pH = 7.4)

-0.25526845

Log P

3.0609128

Molar Refractivity

108.0084

Polarizability

43.035072

Polar Surface Area

113.96

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Fmoc-Dap(Alloc)-OHNα-Fmoc-Nβ-Alloc-L-2,3-diaminopropionic acidNβ-Alloc-Nα-Fmoc-L-2,3-二氨基丙酸Nβ-烯丙氧基羰基-Nα-Fmoc-L-2,3-二氨基丙酸Fmoc-(N-beta-allyloxycarbonyl)-L-alpha,beta-diaminopropionic acidN-芴甲氧羰基-3-[[(烯丙氧基)羰基]氨基]-L-丙氨酸Nβ-Allyloxycarbonyl-Nα-Fmoc-L-2,3-diaminopropionic acidNβ-Alloc-Nα-Fmoc-L-2,3-diaminopropionic acid

IUPAC Traditional name

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

IUPAC name

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

Names and Identifiers

Registration numbers

Beilstein Number

9161065

MDL Number

MFCD00273468

PubChem SID

24871131161001909