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.

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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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