Glycyl-L-glutamine

C₇H₁₃N₃O₄CAS 13115-71-4203.20 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₁₃N₃O₄
Molar mass: 203.20 g/mol
Exact mass: 203.0906 Da
Melting point: 202–203 °C
logP: -0.33Crippen estimate
Polar surface area: 140.0 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

13115-71-4

SMILES

N=C(O)CC[C@H](N=C(O)CN)C(=O)O

InChIKey

PNMUAGGSDZXTHX-BYPYZUCNSA-N

InChI

InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1

Weigh it out

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

Names and synonyms

11 names

(S)-5-Amino-2-(2-aminoacetamido)-5-oxopentanoic acid
L-Glutamine, glycyl-
Glutamine, N2-glycyl-, L-
L-Glutamine, N2-glycyl-
105: PN: EP2161028 PAGE: 10 claimed protein
101: PN: WO2011146121 PAGE: 115 claimed sequence
143: PN: US20130123467 SEQID: 172 claimed protein
(2S)-2-(2-Aminoacetamido)-4-carbamoylbutanoic acid
(2S)-5-Amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoate
23: PN: WO2020009548 SEQID: 23 claimed protein
15: PN: WO2021055880 SEQID: 16 claimed protein

Work with Glycyl-L-glutamine

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-glutamic acid7412-78-469 % similar Phenylacetylglutamine28047-15-664 % similar Alanyl-glutamine39537-23-061 % similar Aceglutamide2490-97-361 % similar Glycylserine687-38-759 % similar Pyroglutamic acid149-87-158 % similar (+)-Pyroglutamic acid4042-36-858 % similar L-Pyroglutamic acid98-79-358 % similar

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

Same formula

Poly(oxy-1,2-ethanediyl), α-(2-azidoethyl)-ω-(2-carboxyethoxy)-1167575-20-3 3-[2-(2-Azidoethoxy)ethoxy]propanoic acid1312309-63-9

Elsewhere

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