chempirical

Z-Vad(ome)-fmk

C22H30FN3O7CAS 187389-52-2467.49 g/mol

Open in Covalent MOL file
OOHNONHONHOOOF
Alkyl halideEsterKetone

Properties

Molecular formula
C22H30FN3O7
Molar mass
467.49 g/mol
Exact mass
467.2068 Da
logP
2.91Crippen estimate
Polar surface area
150.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
12
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
187389-52-2
SMILES
COC(=O)C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)OCc1ccccc1)C(C)C)C(=O)CF
InChIKey
MIFGOLAMNLSLGH-QOKNQOGYSA-N
InChI
InChI=1S/C22H30FN3O7/c1-13(2)19(26-22(31)33-12-15-8-6-5-7-9-15)21(30)24-14(3)20(29)25-16(17(27)11-23)10-18(28)32-4/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t14-,16-,19-/m0/s1

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

Names and synonyms

7 names
  • L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-
  • N-[(Phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-L-alaninamide
  • 3: PN: WO0158526 SEQID: 3 claimed sequence
  • 13: PN: WO2005039629 PAGE: 18 claimed protein
  • 3: PN: WO2011028611 SEQID: 3 unclaimed protein
  • Z-Val-ala-asp(OMe)-FMK
  • z-VAD-fmk

Work with Z-Vad(ome)-fmk

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-[(Phenylmethoxy)carbonyl]-L-alanyl-L-alanine16012-70-751 % similar Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate88191-84-851 % similar Benzyloxycarbonyl-L-valine1149-26-449 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-449 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-546 % similar 4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate3479-47-844 % similar Benzyloxycarbonyl-L-alanine1142-20-744 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-944 % similar

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

Elsewhere

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