Fmoc-D-homophenylalanine

C₂₅H₂₃NO₄CAS 135944-09-1401.46 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₂₃NO₄
Molar mass: 401.46 g/mol
Exact mass: 401.1627 Da
logP: 4.61Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Hazards

Warning

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

Identifiers

CAS number

135944-09-1

SMILES

C1=CC=C(C=C1)CC[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

CIHPCIUGLIZADU-HSZRJFAPSA-N

InChI

InChI=1S/C25H23NO4/c27-24(28)23(15-14-17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-D-homophe-OH

Work with Fmoc-D-homophenylalanine

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-L-homophenylalanine132684-59-4Enantiomer Fmoc-D-homophenylalanine135994-09-1

Similar compounds

Fmoc-homo-L-tyrosine198560-10-085 % similar Fmoc-phe-oh286460-71-781 % similar Fmoc-D-phenylalanine86123-10-681 % similar Fmoc-L-norvaline135112-28-677 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-677 % similar Fmoc-O-benzyl-L-serine83792-48-776 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(((benzyloxy)carbonyl)amino)butanoic acid387824-79-575 % similar Fmoc-D-nle-oh112883-41-774 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-alpha-methyl-L-phe135944-05-7 Fmoc-N-methyl-D-phenylalanine138775-05-0 Fmoc-L-beta-homophenylalanine193954-28-8 Fmoc-L-4-methylphe199006-54-7 Fmoc-D-4-methylphe204260-38-8 (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-4

Elsewhere

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