chempirical

Thymogen

C16H19N3O5CAS 38101-59-6333.34 g/mol

Open in Covalent MOL file
H2NOHOOHNHNOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C16H19N3O5
Molar mass
333.34 g/mol
Exact mass
333.1325 Da
Melting point
121–122 °C
logP
1.31Crippen estimate
Polar surface area
149.0 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
8
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
38101-59-6
SMILES
N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
LLEUXCDZPQOJMY-AAEUAGOBSA-N
InChI
InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Tryptophan, L-α-glutamyl-
  • L-Tryptophan, N-L-α-glutamyl-
  • L-α-Glutamyl-L-tryptophan
  • Glutamyltryptophan
  • Timogen
  • IM 862
  • Oglufanide
  • L-Glutamyl-L-tryptophan
  • NSC 334073
  • 262: PN: EP2161028 PAGE: 12 claimed protein
  • 13: PN: JP2010248096 PAGE: 2 claimed protein
  • 199: PN: WO2011146121 PAGE: 117 claimed sequence
  • 22: PN: JP2014079213 TABLE: 2 claimed sequence
  • α-Glu-trp

Work with Thymogen

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-Alanyl-L-tryptophan16305-75-271 % similar Glycyl-L-tryptophan2390-74-163 % similar D-Tryptophan153-94-660 % similar (±)-Tryptophan54-12-660 % similar L-Tryptophanylglycine7360-09-060 % similar Acetyl-L-tryptophan1218-34-459 % similar N-Acetyl-D-tryptophan2280-01-559 % similar N-Acetyl-dl-tryptophan87-32-159 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook