(2S)-6-Azido-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid

C₂₁H₂₂N₄O₄CAS 159610-89-6394.43 g/mol

Open in Covalent MOL file

Azide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₁H₂₂N₄O₄
Molar mass: 394.43 g/mol
Exact mass: 394.1641 Da
logP: 4.46Crippen estimate
Polar surface area: 124.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

159610-89-6

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O

InChIKey

PJRFTUILPGJJIO-IBGZPJMESA-N

InChI

InChI=1S/C21H22N4O4/c22-25-23-12-6-5-11-19(20(26)27)24-21(28)29-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,24,28)(H,26,27)/t19-/m0/s1

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Names and synonyms

1 names

Fmoc-lys(N3)-oh

Work with (2S)-6-Azido-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid

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

(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid942518-20-989 % similar (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-azidopropanoic acid684270-46-077 % similar Fmoc-homoarg-oh776277-76-072 % similar Fmoc-lys-oh105047-45-869 % similar Fmoc-lys(fmoc)-oh78081-87-569 % similar Fmoc-D-nle-oh112883-41-768 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyclopentylpropanoic acid371770-32-068 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid77284-32-368 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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