Fmoc-phe(4-CN)-OH
Properties
- Molecular formula
- C25H20N2O4
- Molar mass
- 412.45 g/mol
- Exact mass
- 412.1423 Da
- logP
- 4.09Crippen estimate
- Polar surface area
- 99.4 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 6
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
173963-93-4SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C#N)C(=O)OInChIKey
JOPKKUTWCGYCDA-QHCPKHFHSA-NInChI
InChI=1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Fmoc-L-4-cyanophenylalanine
Work with Fmoc-phe(4-CN)-OH
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.
Similar compounds
Fmoc-phe-oh286460-71-778 % similar
Fmoc-D-phenylalanine86123-10-678 % similar
Fmoc-D-tyr-oh112883-29-177 % similar
(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-077 % similar
Fmoc-L-4,4'-biphenylalanine199110-64-076 % similar
Fmoc-D-4-chlorophe142994-19-275 % similar
Fmoc-L-4-fluorophe169243-86-175 % similar
(S)-N-Fmoc-4-chlorophenylalanine175453-08-475 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.