chempirical

4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate

C26H23NO6CAS 150009-58-8445.47 g/mol

Open in Covalent MOL file
ONHOOOOHO
Carboxylic acidEster

Properties

Molecular formula
C26H23NO6
Molar mass
445.47 g/mol
Exact mass
445.1525 Da
logP
4.32Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
150009-58-8
SMILES
O=C(C[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1
InChIKey
OQGAELAJEGGNKG-HSZRJFAPSA-N
InChI
InChI=1S/C26H23NO6/c28-24(32-15-17-8-2-1-3-9-17)14-23(25(29)30)27-26(31)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,29,30)/t23-/m1/s1

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Names and synonyms

2 names
  • D-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(phenylmethyl) ester
  • (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-phenylmethoxybutanoic acid

Work with 4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate

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

5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-283 % similar 4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate3479-47-876 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid252049-08-475 % similar 3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-L-alanine142855-80-975 % similar 4-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate145038-53-575 % similar Fmoc-L-phenylalanine35661-40-674 % similar Fmoc-L-asp(otbu)-oh71989-14-571 % similar Fmoc-L-asparagine71989-16-768 % similar

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

Elsewhere

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