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C20H29NO3CAS 175357-18-3331.46 g/mol

Open in Covalent MOL file
ONHOHO
AlkeneCarboxylic acid

Properties

Molecular formula
C20H29NO3
Molar mass
331.46 g/mol
Exact mass
331.2147 Da
Melting point
109–112 °C
logP
4.95Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
13
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
175357-18-3
SMILES
C=CCCCCCCCCC(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
RTBWWWVNZWFNBV-SFHVURJKSA-N
InChI
InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-12-15-19(22)21-18(20(23)24)16-17-13-10-9-11-14-17/h2,9-11,13-14,18H,1,3-8,12,15-16H2,(H,21,22)(H,23,24)/t18-/m0/s1

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

Names and synonyms

7 names
  • L-Phenylalanine, N-(1-oxo-10-undecen-1-yl)-
  • L-Phenylalanine, N-(1-oxo-10-undecenyl)-
  • N-(1-Oxo-10-undecen-1-yl)-L-phenylalanine
  • Sepiwhite MSH
  • N-Undecenoyl-L-phenylalanine
  • Undecylenoylphenylalanine
  • N-Undecyl-10-enoyl-L-phenylalanine

Work with Sepiwhite

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

Glycylphenylalanine3321-03-759 % similar Glycylphenylalanine721-66-459 % similar N-(2-Chloroacetyl)phenylalanine7765-11-958 % similar Benzoyl-L-phenylalanine2566-22-553 % similar N-Benzoyl-dl-phenylalanine2901-76-053 % similar N-Formyl-L-phenylalanine13200-85-652 % similar (-)-N-Acetylphenylalanine10172-89-151 % similar N-Acetyl-L-phenylalanine2018-61-351 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook