(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.

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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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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