Ala-trp

C14H17N3O3CAS 16305-75-2275.31 g/mol

Open in Covalent MOL file
H2NONHNHOOH
Carboxylic 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.

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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

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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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