Fmoc-3-(3'-quinolyl)-L-alanine

C₂₇H₂₂N₂O₄CAS 281655-61-6438.48 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₇H₂₂N₂O₄
Molar mass: 438.48 g/mol
Exact mass: 438.1580 Da
logP: 4.77Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin 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

281655-61-6

SMILES

C1=CC=C2C(=C1)C=C(C=N2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChIKey

HZZZBOUYIXBVNP-VWLOTQADSA-N

InChI

InChI=1S/C27H22N2O4/c30-26(31)25(14-17-13-18-7-1-6-12-24(18)28-15-17)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-13,15,23,25H,14,16H2,(H,29,32)(H,30,31)/t25-/m0/s1

Weigh it out

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Names and synonyms

1 names

(2S)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-3-(quinolin-3-yl)propanoic acid

Work with Fmoc-3-(3'-quinolyl)-L-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

Similar compounds

Fmoc-2-nal-oh112883-43-975 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-475 % similar Fmoc-phe-oh286460-71-771 % similar Fmoc-D-phenylalanine86123-10-671 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-769 % similar Fmoc-D-4-pyridylalanine205528-30-969 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid175453-07-368 % similar Fmoc-D-tyr-oh112883-29-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Fmoc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid204322-23-6 Fmoc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid268731-07-3

Elsewhere

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