chempirical

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

C25H21N3O4CAS 737007-45-3427.46 g/mol

Open in Covalent MOL file
OONHNHNOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C25H21N3O4
Molar mass
427.46 g/mol
Exact mass
427.1532 Da
logP
4.10Crippen estimate
Polar surface area
104.3 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. Search the SDS library

Identifiers

CAS number
737007-45-3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=CC=N5)C(=O)O
InChIKey
SEWQKWXKJVYKOO-QFIPXVFZSA-N
InChI
InChI=1S/C25H21N3O4/c29-24(30)22(12-15-13-27-23-16(15)10-5-11-26-23)28-25(31)32-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-11,13,21-22H,12,14H2,(H,26,27)(H,28,31)(H,29,30)/t22-/m0/s1

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Names and synonyms

1 names
  • Fmoc-L-7-azatrp

Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic 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

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

Elsewhere

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