Fmoc-O-t-butyl-L-beta-homothreonine|(3R,4R)-4-(tert-butoxy)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid|(3R,4R)-4-(tert-butoxy)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic aci...

General Information

Structure

Molecular Formula

C₂₄H₂₉NO₅

Molecular Mass

411.49076

Exact Mass

411.20457303

Charge

InChI

InChI=1S/C24H29NO5/c1-15(30-24(2,3)4)21(13-22(26)27)25-23(28)29-14-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,15,20-21H,13-14H2,1-4H3,(H,25,28)(H,26,27)/t15-,21-/m1/s1

InChIKey

UFJMOCVIPRJMLW-QVKFZJNVSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

4.416457

H Acceptors

H Donor

LogD (pH = 5.5)

3.0804734

LogD (pH = 7.4)

1.3216305

Log P

4.196892

Molar Refractivity

113.7207

Polarizability

45.736404

Polar Surface Area

84.86

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Fmoc-O-t-butyl-L-beta-homothreonine(3R,4R)-4-tert-Butoxy-3-(Fmoc-amino)pentanoic acidFmoc-β-Homothr(tBu)-OHFmoc-O-叔丁基-L-β-高苏氨酸Fmoc-O-tert-butyl-L-β-homothreonine(3R,4R)-4-叔丁氧基-3-(Fmoc-氨基)戊酸

IUPAC name

(3R,4R)-4-(tert-butoxy)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

IUPAC Traditional name

(3R,4R)-4-(tert-butoxy)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD01863057

Beilstein Number

8797671

PubChem CID

2761548