Fmoc-3-(2-naphthyl)-D-alanine

C28H23NO4CAS 138774-94-4437.50 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C28H23NO4
Molar mass
437.50 g/mol
Exact mass
437.1627 Da
logP
5.37Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
138774-94-4
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChIKey
JYUTZJVERLGMQZ-AREMUKBSSA-N
InChI
InChI=1S/C28H23NO4/c30-27(31)26(16-18-13-14-19-7-1-2-8-20(19)15-18)29-28(32)33-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Fmoc-3-(2-naphthyl)-D-alanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-2-nal-oh112883-43-9Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-776 % similar Fmoc-D-phenylalanine86123-10-676 % similar Fmoc-D-tyr-oh112883-29-175 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-075 % similar Fmoc-3-(3'-quinolyl)-L-alanine281655-61-675 % similar Fmoc-D-3,4-difluorophe198545-59-475 % similar Fmoc-L-4,4'-biphenylalanine199110-64-074 % similar Fmoc-3-chloro-L-phenylalanine198560-44-073 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-3 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid96402-49-2

Elsewhere

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