N-Formylmethionine-leucyl-phenylalanine

C21H31N3O5SCAS 59880-97-6437.56 g/mol

Open in Covalent MOL file
SHNOONHONHOHO
Carboxylic acidSulfide

Properties

Molecular formula
C21H31N3O5S
Molar mass
437.56 g/mol
Exact mass
437.1984 Da
Melting point
212–214 °C
logP
3.72Crippen estimate
Polar surface area
135.1 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
13
Stereocentres
S, 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
59880-97-6
SMILES
CSCC[C@H](N=CO)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
PRQROPMIIGLWRP-BZSNNMDCSA-N
InChI
InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1

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Names and synonyms

7 names
  • L-Phenylalanine, N-formyl-L-methionyl-L-leucyl-
  • L-Phenylalanine, N-[N-(N-formyl-L-methionyl)-L-leucyl]-
  • N-Formyl-L-methionyl-L-leucyl-L-phenylalanine
  • N-Formyl-met-leu-phe-OH
  • NSC 350593
  • 3: PN: WO2010089019 PAGE: 22 claimed protein
  • N-Formyl-methionyl-leucyl-phenylalanine

Work with N-Formylmethionine-leucyl-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-Formyl-L-phenylalanine13200-85-655 % similar N-Formylmethionine4289-98-954 % similar N-Formylmethionine4309-82-454 % similar Ubenimex58970-76-651 % similar Ubenimex hydrochloride65391-42-651 % similar Alanylphenylalanine1999-45-750 % similar L-Alanyl-L-phenylalanine3061-90-350 % similar Nateglinide105816-04-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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