chempirical

Ala-trp

C14H17N3O3CAS 16305-75-2275.31 g/mol

Open in Covalent MOL file
H2NONHNHOOH
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C14H17N3O3
Molar mass
275.31 g/mol
Exact mass
275.1270 Da
Melting point
260 °C
logP
1.47Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
16305-75-2
SMILES
C[C@H](N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
WUGMRIBZSVSJNP-UFBFGSQYSA-N
InChI
InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Alanyl-L-tryptophan
  • L-Tryptophan, L-alanyl-
  • Tryptophan, N-L-alanyl-, L-
  • L-Tryptophan, N-L-alanyl-
  • Tryptophan, N-alanyl-
  • Alanyltryptophan
  • NSC 97948
  • 178: PN: EP2161028 PAGE: 10 claimed protein
  • 7: PN: JP2010248096 PAGE: 2 claimed protein
  • 196: PN: WO2011146121 PAGE: 117 claimed sequence
  • 15: PN: WO2012076822 PAGE: 51 claimed sequence
  • 4: PN: JP2014003971 PAGE: 22 claimed sequence
  • 1: PN: WO2014020129 PAGE: 145 claimed sequence
  • 21: PN: JP2014079213 TABLE: 2 claimed sequence
  • 54: PN: WO2020097235 SEQID: 283 claimed protein

Work with Ala-trp

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

Thymogen38101-59-671 % similar Glycyl-L-tryptophan2390-74-169 % similar Acetyl-L-tryptophan1218-34-468 % similar N-Acetyl-D-tryptophan2280-01-568 % similar N-Acetyl-DL-tryptophan87-32-168 % similar Alanylphenylalanine1999-45-763 % similar L-Alanyl-L-phenylalanine3061-90-363 % similar N-(2-Chloroacetyl)-L-tryptophan64709-57-563 % similar

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

Same formula

Imazapic104098-48-8 (1R,2S,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide1192651-49-2

Elsewhere

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