chempirical

Gly-thr

C6H12N2O4CAS 7093-70-1176.17 g/mol

Open in Covalent MOL file
OHNHONH2OHO
AlcoholCarboxylic acidPrimary amine

Properties

Molecular formula
C6H12N2O4
Molar mass
176.17 g/mol
Exact mass
176.0797 Da
logP
-1.26Crippen estimate
Polar surface area
116.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
7093-70-1
SMILES
C[C@@H](O)[C@H](N=C(O)CN)C(=O)O
InChIKey
OLIFSFOFKGKIRH-WUJLRWPWSA-N
InChI
InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Threonine, glycyl-
  • Threonine, N-glycyl-, L-
  • L-Threonine, N-glycyl-
  • Threonine, N-glycyl-
  • Glycyl-L-threonine
  • Glycylthreonine
  • Gly-L-thr
  • 2: PN: WO03052099 PAGE: 83 claimed protein
  • 437: PN: WO2005081628 SEQID: 439 claimed protein
  • 146: PN: US20130123467 SEQID: 175 claimed protein
  • 8: PN: WO2014170713 SEQID: 108 claimed protein
  • 4: PN: WO2017060857 PAGE: 86 claimed sequence
  • 23: PN: WO2020097235 SEQID: 252 claimed protein
  • 30: PN: WO2020185850 SEQID: 30 claimed protein
  • 16: PN: WO2021055880 SEQID: 17 claimed protein

Work with Gly-thr

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-valine1963-21-971 % similar Glycyl-dl-valine2325-17-971 % similar Glycyl-L-isoleucine19461-38-264 % similar Glycyl-L-alanine3695-73-661 % similar Glycylalanine926-77-261 % similar Glycylleucine688-14-255 % similar Glycyl-L-leucine869-19-255 % similar Glycylserine687-38-751 % similar

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

Same formula

N,N'-Dimethoxy-N,N'-dimethyloxamide106675-70-1 N1,N2-Bis(2-hydroxyethyl)ethanediamide1871-89-2 Glycyl-dl-threonine27174-15-8 Dmdnb3964-18-9 1,2-Diethyl 1,2-hydrazinedicarboxylate4114-28-7 Ethylenediaminediacetic acid5657-17-0

Elsewhere

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