chempirical

Glycyl-L-leucine

C8H16N2O3CAS 869-19-2188.23 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
242 °C (decomposes)
logP
0.40Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
869-19-2
SMILES
CC(C)C[C@H](N=C(O)CN)C(=O)O
InChIKey
DKEXFJVMVGETOO-LURJTMIESA-N
InChI
InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

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

Names and synonyms

13 names · show all
  • L-Leucine, glycyl-
  • Leucine, N-glycyl-, L-
  • L-Leucine, N-glycyl-
  • Glycylleucine
  • N-Glycyl-L-leucine
  • NSC 83257
  • 98: PN: EP2161028 PAGE: 10 claimed protein
  • 20: PN: WO2014063098 TABLE: 5 claimed protein
  • 117: PN: US20130123467 SEQID: 141 claimed protein
  • 17: PN: KR20140043582 SEQID: 20 claimed protein
  • 4: PN: WO2014170713 SEQID: 104 claimed protein
  • (2S)-2-[(2-Aminoacetyl)amino]-4-methylpentanoic acid
  • (2S)-2-(2-Aminoacetamido)-4-methylpentanoic acid

Work with Glycyl-L-leucine

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-(2-Chloroacetyl)-L-leucine688-12-068 % similar Glycylserine687-38-764 % similar Dl-alanyl-dl-leucine1999-42-462 % similar L-Leucyl-L-leucine3303-31-962 % similar L-Alanyl-L-leucine3303-34-262 % similar Glycyl-L-alanine3695-73-661 % similar Glycylalanine926-77-261 % similar Glycyl-L-aspartic acid4685-12-561 % 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 Glycyl-L-isoleucine19461-38-2 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

Elsewhere

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