chempirical

Indoleacetyl phenylalanine

C19H18N2O3CAS 57105-50-7322.36 g/mol

Open in Covalent MOL file
OOHNHONH
AmideCarboxylic acid

Properties

Molecular formula
C19H18N2O3
Molar mass
322.36 g/mol
Exact mass
322.1317 Da
logP
2.52Crippen estimate
Polar surface area
82.2 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
6
Stereocentres
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
57105-50-7
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC2=CNC3=CC=CC=C32
InChIKey
BUGQHORRADGONS-KRWDZBQOSA-N
InChI
InChI=1S/C19H18N2O3/c22-18(11-14-12-20-16-9-5-4-8-15(14)16)21-17(19(23)24)10-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,21,22)(H,23,24)/t17-/m0/s1

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Names and synonyms

1 names
  • N-(3-Indolylacetyl)-L-phenylalanine

Work with Indoleacetyl 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

N-Methyl-L-tryptophan526-31-858 % similar N-(Hydroxymethylidene)tryptophan16108-03-556 % similar Valyltryptophan24587-37-954 % similar Indole-3-lactic acid1821-52-954 % similar Fmoc-D-tryptophan86123-11-753 % similar D-Tryptophan153-94-653 % similar (±)-Tryptophan54-12-653 % similar Tryptophan73-22-353 % similar

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

Same formula

1′,3′-Dihydro-1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-[2H]indole]1498-88-0

Elsewhere

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