CAS 193954-28-8|Fmoc-L-β-homophenylalanine|Fmoc-β-Homophe-OH|(S)-3-(芴甲氧羰基氨基)-4-苯基丁酸|Fmoc-L-β-高苯丙氨酸|(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acid|(3S)-3-{[...

General Information

Structure

Molecular Formula

C₂₅H₂₃NO₄

Molecular Mass

401.45442

Exact Mass

401.16270822

Charge

InChI

InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1

InChIKey

DQNUGHJJKNFCND-SFHVURJKSA-N

Canonic Smiles

OC(=O)C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

C([C@H](Cc1ccccc1)NC(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O

Calculated Properties

JChem

Acid pKa

4.3533883

H Acceptors

H Donor

LogD (pH = 5.5)

3.611719

LogD (pH = 7.4)

1.8629774

Log P

4.786467

Molar Refractivity

113.8204

Polarizability

45.44465

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Fmoc-L-β-高苯丙氨酸(S)-3-(芴甲氧羰基氨基)-4-苯基丁酸Fmoc-L-β-homophenylalanineFmoc-β-Homophe-OH(S)-3-(Fmoc-amino)-4-phenylbutyric acidN-Fmoc-L-beta-homophenylalanineN-Fmoc-L-β-高苯基丙氨酸Fmoc-beta-Homophe-OHFmoc-L-beta-homophenylalanine

IUPAC Traditional name

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acid

IUPAC name

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenylbutanoic acid

Names and Identifiers

Registration numbers

CAS Number

193954-28-8

Beilstein Number

7726557

MDL Number

MFCD01863055