chempirical

Glycyl-L-isoleucine

C8H16N2O3CAS 19461-38-2188.23 g/mol

Open in Covalent MOL file
NHONH2OHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H16N2O3
Molar mass
188.23 g/mol
Exact mass
188.1161 Da
Melting point
257 °C
logP
0.40Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
19461-38-2
SMILES
CC[C@H](C)[C@H](N=C(O)CN)C(=O)O
InChIKey
KGVHCTWYMPWEGN-FSPLSTOPSA-N
InChI
InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,7-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • L-Isoleucine, glycyl-
  • Isoleucine, N-glycyl-, L-
  • L-Isoleucine, N-glycyl-
  • Glycylisoleucine
  • N-Glycyl-L-isoleucine
  • 54: PN: EP2161028 PAGE: 10 claimed protein
  • 15: PN: WO2014063098 TABLE: 5 claimed protein
  • 161: PN: WO2011146121 PAGE: 117 claimed sequence
  • 110: PN: US20130123467 SEQID: 134 claimed protein
  • 16: PN: KR20140043582 SEQID: 19 claimed protein

Work with Glycyl-L-isoleucine

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

Glycyl-L-valine1963-21-968 % similar Glycyl-dl-valine2325-17-968 % similar Glycyl-dl-threonine27174-15-864 % similar Gly-thr7093-70-164 % similar N-Acetyl-L-isoleucine3077-46-162 % similar Glycyl-L-alanine3695-73-658 % similar Glycylalanine926-77-258 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-753 % similar

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

Same formula

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-5 N-Acetyl-L-lysine1946-82-3 L-Asparagine tert-butyl ester25456-86-4 Leucylglycine615-82-7 L-Leucylglycine686-50-0 Glycylleucine688-14-2 Acetyllysine692-04-6 Glycyl-L-leucine869-19-2

Elsewhere

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