(S)-N-Fmoc-2-(7'-octenyl) alanine

C₂₆H₃₁NO₄CAS 288617-75-4421.54 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₂₆H₃₁NO₄
Molar mass: 421.54 g/mol
Exact mass: 421.2253 Da
logP: 5.90Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 11
Stereocentres: Sin SMILES atom order

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

288617-75-4

SMILES

C[C@](CCCCCCC=C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

MADFVGMQNXRFAF-SANMLTNESA-N

InChI

InChI=1S/C26H31NO4/c1-3-4-5-6-7-12-17-26(2,24(28)29)27-25(30)31-18-23-21-15-10-8-13-19(21)20-14-9-11-16-22(20)23/h3,8-11,13-16,23H,1,4-7,12,17-18H2,2H3,(H,27,30)(H,28,29)/t26-/m0/s1

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Names and synonyms

1 names

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methyldec-9-enoic acid

Work with (S)-N-Fmoc-2-(7'-octenyl) 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

(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic acid288617-73-293 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-966 % similar Fmoc-alpha-methyl-L-phe135944-05-765 % similar Fmoc-cycloleucine117322-30-261 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid246539-83-360 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-459 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-856 % similar 4-(Fmoc-amino)-tetrahydropyran-4-carboxylic acid285996-72-754 % similar

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

Elsewhere

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