chempirical

L-Phenylalanyl-L-phenylalanine

C18H20N2O3CAS 2577-40-4312.37 g/mol

Open in Covalent MOL file
NH2OHNOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C18H20N2O3
Molar mass
312.37 g/mol
Exact mass
312.1474 Da
Melting point
131–133 °C
logP
2.21Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
7
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
2577-40-4
SMILES
N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
GKZIWHRNKRBEOH-HOTGVXAUSA-N
InChI
InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • L-Phenylalanine, L-phenylalanyl-
  • Alanine, 3-phenyl-N-(3-phenyl-L-alanyl)-, L-
  • L-Phenylalanine, N-L-phenylalanyl-
  • Alanine, 3-phenyl-N-3-phenyl-L-alanyl-
  • (Phenylalanyl)phenylalanine
  • NSC 524136
  • 21: PN: US20050069551 PAGE: 16 claimed protein
  • 10: PN: WO2010004535 PAGE: 31 claimed protein
  • 110: PN: EP2161028 PAGE: 10 claimed protein
  • L-Phe-L-phe-OH
  • 101: PN: WO2014145242 PAGE: 31 claimed protein
  • L,L-Diphenylalanine
  • Diphenylalanine
  • 1: PN: WO2019190333 SEQID: 1 claimed protein
  • 10: PN: CN112794917 SEQID: 10 claimed protein

Work with L-Phenylalanyl-L-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

L-Aspartyl-L-phenylalanine13433-09-579 % similar Alanylphenylalanine1999-45-772 % similar L-Alanyl-L-phenylalanine3061-90-372 % similar L-Phenylalanyl-L-alanine3918-87-472 % similar Glycylphenylalanine3321-03-767 % similar Glycylphenylalanine721-66-467 % similar Phenylalanine63-91-266 % similar D-Phenylalanine673-06-366 % similar

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

Same formula

Vsu23949-66-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook