chempirical

3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-L-alanine

C26H24N2O6CAS 142855-80-9460.49 g/mol

Open in Covalent MOL file
OHONHOONHOO
Carboxylic acid

Properties

Molecular formula
C26H24N2O6
Molar mass
460.49 g/mol
Exact mass
460.1634 Da
logP
4.31Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
142855-80-9
SMILES
O=C(O)[C@H](CN=C(O)OCC1c2ccccc2-c2ccccc21)N=C(O)OCc1ccccc1
InChIKey
MVKNXKRRMCSKJJ-QHCPKHFHSA-N
InChI
InChI=1S/C26H24N2O6/c29-24(30)23(28-26(32)33-15-17-8-2-1-3-9-17)14-27-25(31)34-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1

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Names and synonyms

2 names
  • L-Alanine, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-
  • (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(((benzyloxy)carbonyl)amino)propanoic acid

Work with 3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-L-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

(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid252049-08-482 % similar 5-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate123639-61-277 % similar 4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-875 % similar Fmoc-L-phenylalanine35661-40-674 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-471 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-166 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine phenylmethyl ester73724-46-666 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-264 % similar

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

Elsewhere

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