(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(1H-indol-3-yl)butanoic acid|Fmoc-L-beta-homotryptophan|(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(1H-indol-3-yl)butanoic acid|(S)-3-(Fmoc-...

General Information

Structure

Molecular Formula

C₂₇H₂₄N₂O₄

Molecular Mass

440.49046

Exact Mass

440.17360726

Charge

InChI

InChI=1S/C27H24N2O4/c30-26(31)14-18(13-17-15-28-25-12-6-5-7-19(17)25)29-27(32)33-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,15,18,24,28H,13-14,16H2,(H,29,32)(H,30,31)/t18-/m0/s1

InChIKey

SXHPYIHTNVXINO-SFHVURJKSA-N

Canonic Smiles

O=C(N[C@@H](Cc1c[nH]c2c1cccc2)CC(=O)O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

c1ccc2c(c1)c(c[nH]2)C[C@@H](CC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2

Calculated Properties

JChem

Acid pKa

4.430062

H Acceptors

H Donor

LogD (pH = 5.5)

3.7813156

LogD (pH = 7.4)

2.0205815

Log P

4.885229

Molar Refractivity

124.9069

Polarizability

50.666668

Polar Surface Area

91.42

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(1H-indol-3-yl)butanoic acid

IUPAC name

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(1H-indol-3-yl)butanoic acid

Synonyms

Fmoc-L-beta-homotryptophan(S)-3-(Fmoc-氨基)-4-(3-吲哚基)丁酸Fmoc-β-Homotrp-OHNβ-Fmoc-L-β-高色氨酸Nβ-Fmoc-L-β-homotryptophan(S)-3-(Fmoc-amino)-4-(3-indolyl)butyricacid

Names and Identifiers

Registration numbers

MDL Number

MFCD01863056

PubChem SID

16100276624871591

PubChem CID

2761552

Registration numbers

Properties

Safety Information

MSDS Link