Val-tyr

C14H20N2O4CAS 3061-91-4280.32 g/mol

Open in Covalent MOL file
H2NONHOHOHO
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C14H20N2O4
Molar mass
280.32 g/mol
Exact mass
280.1423 Da
logP
1.33Crippen estimate
Polar surface area
116.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6
Stereocentres
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
3061-91-4
SMILES
CC(C)[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKey
VEYJKJORLPYVLO-RYUDHWBXSA-N
InChI
InChI=1S/C14H20N2O4/c1-8(2)12(15)13(18)16-11(14(19)20)7-9-3-5-10(17)6-4-9/h3-6,8,11-12,17H,7,15H2,1-2H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1

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Names and synonyms

15 names · show all
  • L-Valyl-L-tyrosine
  • L-Tyrosine, L-valyl-
  • Tyrosine, N-L-valyl-, L-
  • L-Tyrosine, N-L-valyl-
  • Tyrosine, N-valyl-
  • N-L-Valyl-L-tyrosine
  • Valyltyrosine
  • 22: PN: WO03052099 PAGE: 84 claimed protein
  • 29: PN: WO2005081628 SEQID: 1029 claimed protein
  • 99: PN: US20070066537 PAGE: 17 claimed protein
  • 23: PN: US20090239809 SEQID: 23 claimed protein
  • 457: PN: EP2161028 TABLE: 4 claimed protein
  • 138: PN: WO2012013136 SEQID: 183 claimed protein
  • 6: PN: WO2012056205 TABLE: 1 claimed sequence
  • 5: PN: JP2014003971 PAGE: 22 claimed sequence

Work with Val-tyr

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

L-Alanyl-L-tyrosine3061-88-974 % similar D-Leucyl-L-tyrosine3303-29-568 % similar Leucyltyrosine968-21-868 % similar Glycyl-L-tyrosine658-79-760 % similar N-Acetyl-DL-tyrosine2901-77-160 % similar N-Acetyl-L-tyrosine537-55-360 % similar Alanylphenylalanine1999-45-758 % similar L-Alanyl-L-phenylalanine3061-90-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

ε-(Benzyloxycarbonyl)-L-lysine1155-64-2 4-Amino-N-[(1,1-dimethylethoxy)carbonyl]-D-phenylalanine164332-89-2 Boc-(S)-3-amino-4-(4-pyridyl)-butyric acid219297-13-9 N-α-Benzyloxycarbonyl-L-lysine2212-75-1 H-D-Lys(Z)-oh34404-32-5 Boc-4-amino-L-phenylalanine55533-24-9 Z-D-Lys-oh70671-54-4

Elsewhere

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