2-Furanacryloyl-phenylalanyl-glycyl-glycine

C₂₀H₂₁N₃O₆CAS 64967-39-1399.40 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid

Properties

Molecular formula: C₂₀H₂₁N₃O₆
Molar mass: 399.40 g/mol
Exact mass: 399.1430 Da
logP: 0.34Crippen estimate
Polar surface area: 137.7 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order
Double bonds: EE/Z, in SMILES 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

64967-39-1

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)/C=C/C2=CC=CO2

InChIKey

ZDLZKMDMBBMJLI-FDMDGMSGSA-N

InChI

InChI=1S/C20H21N3O6/c24-17(9-8-15-7-4-10-29-15)23-16(11-14-5-2-1-3-6-14)20(28)22-12-18(25)21-13-19(26)27/h1-10,16H,11-13H2,(H,21,25)(H,22,28)(H,23,24)(H,26,27)/b9-8+/t16-/m0/s1

Weigh it out

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

Names and synonyms

1 names

N-[3-(2-Furyl)acryloyl]-L-phenylalanyl-glycyl-glycine

Work with 2-Furanacryloyl-phenylalanyl-glycyl-glycine

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

Boc-phe-gly-oh25616-33-548 % similar Carbobenzoxyglycylglycine2566-19-043 % similar N-Hippurylglycine1145-32-040 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycylglycylglycylglycine1001202-16-939 % similar Fmoc-gly-gly-gly-oh170941-79-439 % similar Fmoc-gly-gly-oh35665-38-439 % similar [Leu5]-enkephalin58822-25-639 % similar H-Tyr-gly-gly-phe-met-oh58569-55-438 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook