(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid

C25H23NO5CAS 246539-83-3417.46 g/mol

Open in Covalent MOL file
HOOHONHOO
CarbamateCarboxylic acidPhenol

Properties

Molecular formula
C25H23NO5
Molar mass
417.46 g/mol
Exact mass
417.1576 Da
logP
4.32Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
246539-83-3
SMILES
C[C@](CC1=CC=C(C=C1)O)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
DRUHZAKWMCLMLZ-VWLOTQADSA-N
InChI
InChI=1S/C25H23NO5/c1-25(23(28)29,14-16-10-12-17(27)13-11-16)26-24(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22,27H,14-15H2,1H3,(H,26,30)(H,28,29)/t25-/m0/s1

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Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic 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

Fmoc-alpha-methyl-L-phe135944-05-786 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-471 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isovaline857478-30-971 % similar (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic acid288617-73-262 % similar (S)-N-Fmoc-2-(7'-octenyl) alanine288617-75-460 % similar (R)-N-Fmoc-2-(7'-octenyl) alanine945212-26-060 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dimethylbutanoic acid169566-81-859 % similar Fmoc-cycloleucine117322-30-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-homo-L-tyrosine198560-10-0 Fmoc-D-4-methoxyphe201335-88-8 N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-serine phenylmethyl ester73724-46-6 N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-4 Fmoc-O-benzyl-L-serine83792-48-7

Elsewhere

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