Glycylglycyl-L-isoleucine

C₁₀H₁₉N₃O₄CAS 69242-40-6245.28 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₉N₃O₄
Molar mass: 245.28 g/mol
Exact mass: 245.1376 Da
logP: -1.32Crippen estimate
Polar surface area: 121.5 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7
Stereocentres: S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

69242-40-6

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)CN

InChIKey

XMPXVJIDADUOQB-RCOVLWMOSA-N

InChI

InChI=1S/C10H19N3O4/c1-3-6(2)9(10(16)17)13-8(15)5-12-7(14)4-11/h6,9H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,9-/m0/s1

Weigh it out

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

Work with Glycylglycyl-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-glycyl-valine20274-89-971 % similar Gly-D-val10521-49-056 % similar Boc-D-isoleucine55721-65-848 % similar Glycyl-D-leucine688-13-147 % similar Tetraglycine637-84-347 % similar Glycyl-L-isoleucine19461-38-245 % similar L-Alloisoleucine1509-34-843 % similar D-Alloisoleucine1509-35-943 % similar

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

Same formula

Leu-gly-gly1187-50-4 Glycylglycyl-L-leucine14857-82-0 D-Leucylglycylglycine18625-22-4 Leucylglycylglycine4337-37-5

Elsewhere

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