chempirical

4-[(Aminocarbonyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine

C25H23N3O5CAS 324017-22-3445.48 g/mol

Open in Covalent MOL file
OONHHNONH2OHO
CarbamateCarboxylic acidUrea

Properties

Molecular formula
C25H23N3O5
Molar mass
445.48 g/mol
Exact mass
445.1638 Da
logP
3.71Crippen estimate
Polar surface area
130.8 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
324017-22-3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)NC(=O)N)C(=O)O
InChIKey
HFPDOFBZCSQAEJ-JOCHJYFZSA-N
InChI
InChI=1S/C25H23N3O5/c26-24(31)27-16-11-9-15(10-12-16)13-22(23(29)30)28-25(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,28,32)(H,29,30)(H3,26,27,31)/t22-/m1/s1

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Names and synonyms

1 names
  • D-Phenylalanine, 4-[(aminocarbonyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Work with 4-[(Aminocarbonyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine

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-D-4-carbamoylphe1217610-39-374 % similar Fmoc-phe-oh286460-71-774 % similar Fmoc-D-phenylalanine86123-10-674 % similar Fmoc-4-amino-L-phenylalanine95753-56-374 % similar Fmoc-D-tyr-oh112883-29-173 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-073 % similar Fmoc-D-phe(4-NHBoc)-OH214750-77-373 % similar Fmoc-L-4,4'-biphenylalanine199110-64-072 % similar

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

Elsewhere

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